1-(2-Methyl-5-pyrimidyl)ethanone - CAS 1225223-42-6
Catalog: |
BB005415 |
Product Name: |
1-(2-Methyl-5-pyrimidyl)ethanone |
CAS: |
1225223-42-6 |
Synonyms: |
1-(2-methyl-5-pyrimidinyl)ethanone; 1-(2-methylpyrimidin-5-yl)ethanone |
IUPAC Name: | 1-(2-methylpyrimidin-5-yl)ethanone |
Description: | 1-(2-Methyl-5-pyrimidyl)ethanone (CAS# 1225223-42-6) is a useful research chemical. |
Molecular Weight: | 136.15 |
Molecular Formula: | C7H8N2O |
Canonical SMILES: | CC1=NC=C(C=N1)C(=O)C |
InChI: | InChI=1S/C7H8N2O/c1-5(10)7-3-8-6(2)9-4-7/h3-4H,1-2H3 |
InChI Key: | TWNSRXTUWVTDNM-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 0.98760 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2017176812-A1 | cGAS ANTAGONIST COMPOUNDS | 20160405 |
US-10947206-B2 | cGAS antagonist compounds | 20160405 |
US-10323020-B2 | Substituted piperidinyl tetrahydroquinolines | 20131219 |
US-2016318901-A1 | Substituted piperidinyl-tetrahydroquinolines | 20131219 |
US-2018141930-A1 | Substituted piperidinyl tetrahydroquinolines | 20131219 |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.063662883 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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