N-(2,4-Dimethoxybenzyl)-5-fluoro-2-pyrimidinamine - CAS 1354819-21-8
Catalog: |
BB008181 |
Product Name: |
N-(2,4-Dimethoxybenzyl)-5-fluoro-2-pyrimidinamine |
CAS: |
1354819-21-8 |
Synonyms: |
N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-2-pyrimidinamine; N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidin-2-amine |
IUPAC Name: | N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidin-2-amine |
Description: | N-(2,4-Dimethoxybenzyl)-5-fluoro-2-pyrimidinamine (CAS# 1354819-21-8) is a useful research chemical. |
Molecular Weight: | 263.27 |
Molecular Formula: | C13H14FN3O2 |
Canonical SMILES: | COC1=CC(=C(C=C1)CNC2=NC=C(C=N2)F)OC |
InChI: | InChI=1S/C13H14FN3O2/c1-18-11-4-3-9(12(5-11)19-2)6-15-13-16-7-10(14)8-17-13/h3-5,7-8H,6H2,1-2H3,(H,15,16,17) |
InChI Key: | UJPGZPKIUADKFK-UHFFFAOYSA-N |
LogP: | 2.31800 |
Publication Number | Title | Priority Date |
EP-3458449-A1 | Benzenesulfonamide compounds and their use as therapeutic agents | 20160520 |
JP-2019516737-A | Benzenesulfonamide compounds and their use as therapeutic agents | 20160520 |
KR-20190007050-A | Benzenesulfonamide compounds and their use as therapeutic agents | 20160520 |
US-10246453-B2 | Benzenesulfonamide compounds and their use as therapeutic agents | 20160520 |
US-10662184-B2 | Benzenesulfonamide compounds and their use as therapeutic agents | 20160520 |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.10700486 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.10700486 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 56.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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