4-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-1H-pyrimidin-6-one

C12H14N4O2 — CID 136975577

IUPAC4-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(CNc2cc(=O)[nH]c(C)n2)cn1
InChIInChI=1S/C12H14N4O2/c1-8-15-10(5-11(17)16-8)13-6-9-3-4-12(18-2)14-7-9/h3-5,7H,6H2,1-2H3,(H2,13,15,16,17)
InChIKeyKLRTUAMRUKOHKH-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.09
Rot. Bonds4

About 4-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-1H-pyrimidin-6-one

4-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136975577) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136975577
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(CNc2cc(=O)[nH]c(C)n2)cn1
InChIInChI=1S/C12H14N4O2/c1-8-15-10(5-11(17)16-8)13-6-9-3-4-12(18-2)14-7-9/h3-5,7H,6H2,1-2H3,(H2,13,15,16,17)
InChIKeyKLRTUAMRUKOHKH-UHFFFAOYSA-N
XLogP1.09
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974051
4-[(4-aminophenyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136989527
4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine
CID 114993686
ethane;N-[(6-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyridin-2-amine
CID 143898459
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine
CID 115773877
2-methyl-4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136974643
N-[(6-methoxy-3-pyridinyl)methyl]-4-nitropyridin-2-amine
CID 62490095
2-cyclopropyl-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136975561
N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 60710836
4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80831883
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine
CID 62996638

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-1H-pyrimidin-6-one (CID 136975577) is 4-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-1H-pyrimidin-6-one is COc1ccc(CNc2cc(=O)[nH]c(C)n2)cn1.
What is the InChIKey of 4-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is KLRTUAMRUKOHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-15-10(5-11(17)16-8)13-6-9-3-4-12(18-2)14-7-9/h3-5,7H,6H2,1-2H3,(H2,13,15,16,17).
What are the key properties of 4-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
4-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 246.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136975577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).