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

C12H13N5O2 — CID 44520956

IUPAC2-amino-6-methoxy-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCc2ccccn2)nc(N)n1
InChIInChI=1S/C12H13N5O2/c1-19-10-6-9(16-12(13)17-10)11(18)15-7-8-4-2-3-5-14-8/h2-6H,7H2,1H3,(H,15,18)(H2,13,16,17)
InChIKeyHKDRLLSZDIGQIK-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.39
Rot. Bonds4

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

2-amino-6-methoxy-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 44520956) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-amino-6-methoxy-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-methoxy-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID44520956
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name2-amino-6-methoxy-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCc2ccccn2)nc(N)n1
InChIInChI=1S/C12H13N5O2/c1-19-10-6-9(16-12(13)17-10)11(18)15-7-8-4-2-3-5-14-8/h2-6H,7H2,1H3,(H,15,18)(H2,13,16,17)
InChIKeyHKDRLLSZDIGQIK-UHFFFAOYSA-N
XLogP0.39
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
N-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-4-pyrimidinecarboxamide
CID 10640987
N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide
CID 11603119
6-methyl-N-(6-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197614
N-(6-ethyl-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197937
4-cyclobutyloxy-6-methyl-N-pyridin-2-ylpyridine-2-carboxamide
CID 118612946
6-methyl-4-(oxetan-3-yloxy)-N-pyridin-2-ylpyridine-2-carboxamide
CID 118612948
Pyrimidine-4-carboxamide, 88
CID 44520970
4-(methoxymethoxy)-6-methyl-N-pyridin-2-ylpyridine-2-carboxamide
CID 155520820
N-(5-fluoro-2-pyridinyl)-4-(methoxymethoxy)-6-methylpyridine-2-carboxamide
CID 155529408
N-methyl-4-[4-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide
CID 164611034

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-methoxy-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 44520956) is 2-amino-6-methoxy-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-methoxy-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-methoxy-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is COc1cc(C(=O)NCc2ccccn2)nc(N)n1.
What is the InChIKey of 2-amino-6-methoxy-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is HKDRLLSZDIGQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-19-10-6-9(16-12(13)17-10)11(18)15-7-8-4-2-3-5-14-8/h2-6H,7H2,1H3,(H,15,18)(H2,13,16,17).
What are the key properties of 2-amino-6-methoxy-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
2-amino-6-methoxy-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methoxy-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 44520956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).