4-Amino-2-(tert-butyl)pyrimidine - CAS 114362-20-8
Catalog: |
BB003391 |
Product Name: |
4-Amino-2-(tert-butyl)pyrimidine |
CAS: |
114362-20-8 |
Synonyms: |
2-tert-butyl-4-pyrimidinamine; 2-tert-butylpyrimidin-4-amine |
IUPAC Name: | 2-tert-butylpyrimidin-4-amine |
Description: | 4-Amino-2-(tert-butyl)pyrimidine (CAS# 114362-20-8) is used as a reactant in the preparation of pyrimidines via cyclization, ring transformation, aromatization and substituent modification. |
Molecular Weight: | 151.21 |
Molecular Formula: | C8H13N3 |
Canonical SMILES: | CC(C)(C)C1=NC=CC(=N1)N |
InChI: | InChI=1S/C8H13N3/c1-8(2,3)7-10-5-4-6(9)11-7/h4-5H,1-3H3,(H2,9,10,11) |
InChI Key: | RRFVDJXZQAAJFH-UHFFFAOYSA-N |
Storage: | Keep in dark place, Sealed in dry, 2-8 °C |
LogP: | 1.28640 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021146370-A1 | Map4k1 inhibitors | 20200115 |
WO-2020210380-A1 | Heterocyclic compounds and uses thereof | 20190409 |
EP-3578562-A1 | L-valinate amide benzoxaborole derivatives for the treatment of parasitic diseases | 20160512 |
US-10653681-B2 | Analgesic compounds | 20160316 |
US-2019111031-A1 | Analgesic compounds | 20160316 |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.110947427 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.110947427 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 51.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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