2-amino-6-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

C18H17N5O2 — CID 44520951

IUPAC2-amino-6-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)c1
InChIInChI=1S/C18H17N5O2/c1-25-14-7-4-5-12(9-14)15-10-16(23-18(19)22-15)17(24)21-11-13-6-2-3-8-20-13/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23)
InChIKeyAWIQRLYARUXAKO-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.06
Rot. Bonds5

About 2-amino-6-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

2-amino-6-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 44520951) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-amino-6-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID44520951
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name2-amino-6-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)c1
InChIInChI=1S/C18H17N5O2/c1-25-14-7-4-5-12(9-14)15-10-16(23-18(19)22-15)17(24)21-11-13-6-2-3-8-20-13/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23)
InChIKeyAWIQRLYARUXAKO-UHFFFAOYSA-N
XLogP2.06
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

p-(18F)MPPF
CID 5352127
4-methyl-3-((3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yl)oxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108977
6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548194
6-cyclopropyl-N-[4-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548303
6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-(2-methoxyethoxy)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548311
6-cyclopropyl-N-[4-(2-methoxyethoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548350
N-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 4055067
Pyrimidine-4-carboxamide, 26
CID 11220580
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108986
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(4-(trifluoromethyl)phenyl)benzamide
CID 16108987
(2S)-3-cyclohexyl-2-({4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl}formamido)-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648340
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 44520951) is 2-amino-6-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is COc1cccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)c1.
What is the InChIKey of 2-amino-6-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is AWIQRLYARUXAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-25-14-7-4-5-12(9-14)15-10-16(23-18(19)22-15)17(24)21-11-13-6-2-3-8-20-13/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23).
What are the key properties of 2-amino-6-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
2-amino-6-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 44520951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).