2-amino-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide

C13H15N5O2 — CID 44520970

IUPAC2-amino-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCc2ncccc2C)nc(N)n1
InChIInChI=1S/C13H15N5O2/c1-8-4-3-5-15-10(8)7-16-12(19)9-6-11(20-2)18-13(14)17-9/h3-6H,7H2,1-2H3,(H,16,19)(H2,14,17,18)
InChIKeyFUTWRVQKLRHQKJ-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.70
Rot. Bonds4

About 2-amino-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide

2-amino-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide (PubChem CID 44520970) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-amino-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
PubChem CID44520970
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-amino-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCc2ncccc2C)nc(N)n1
InChIInChI=1S/C13H15N5O2/c1-8-4-3-5-15-10(8)7-16-12(19)9-6-11(20-2)18-13(14)17-9/h3-6H,7H2,1-2H3,(H,16,19)(H2,14,17,18)
InChIKeyFUTWRVQKLRHQKJ-UHFFFAOYSA-N
XLogP0.70
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.70
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
Pyrimidine-4-carboxamide, 73
CID 44520950
Pyrimidine-4-carboxamide, 77
CID 44520952
Pyrimidine-4-carboxamide, 81
CID 44520954
Pyrimidine-4-carboxamide, 74
CID 44520963
Pyrimidine-4-carboxamide, 78
CID 44520965
Pyrimidine-4-carboxamide, 82
CID 44520967
2-Amino-8-isopropyl-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8h)-one
CID 52949940
N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338401
Pyrimidine-4-carboxamide, 87
CID 44520956
N-(3-methoxybenzyl)-2-(2-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxamide
CID 1485637

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide (CID 44520970) is 2-amino-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide is COc1cc(C(=O)NCc2ncccc2C)nc(N)n1.
What is the InChIKey of 2-amino-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is FUTWRVQKLRHQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8-4-3-5-15-10(8)7-16-12(19)9-6-11(20-2)18-13(14)17-9/h3-6H,7H2,1-2H3,(H,16,19)(H2,14,17,18).
What are the key properties of 2-amino-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
2-amino-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.70, 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-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 44520970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).