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

C11H11ClN4O — CID 136975684

IUPAC5-chloro-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
SMILESCc1cccnc1CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H11ClN4O/c1-7-3-2-4-13-8(7)5-14-10-9(12)11(17)16-6-15-10/h2-4,6H,5H2,1H3,(H2,14,15,16,17)
InChIKeyNPTZUYAZWXOZRK-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.74
Rot. Bonds3

About 5-chloro-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one

5-chloro-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136975684) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 5-chloro-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136975684
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name5-chloro-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
SMILESCc1cccnc1CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H11ClN4O/c1-7-3-2-4-13-8(7)5-14-10-9(12)11(17)16-6-15-10/h2-4,6H,5H2,1H3,(H2,14,15,16,17)
InChIKeyNPTZUYAZWXOZRK-UHFFFAOYSA-N
XLogP1.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 137016426
5-chloro-4-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 137016144
5-chloro-4-(pyridin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136973831
5-chloro-4-[(5-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975243
4-[(4-aminophenyl)methylamino]-5-chloro-1H-pyrimidin-6-one
CID 136979125
4-[(3-amino-2,2-dimethylpropyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137008656
3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 63306272
5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 105369414
3,5-dichloro-2-N-ethyl-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine
CID 102758257
3,5-dichloro-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine
CID 102758255
5-chloro-4-(3-chloropropylamino)-1H-pyrimidin-6-one
CID 136971845
3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 106875724

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one (CID 136975684) is 5-chloro-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one is Cc1cccnc1CNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is NPTZUYAZWXOZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-7-3-2-4-13-8(7)5-14-10-9(12)11(17)16-6-15-10/h2-4,6H,5H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-chloro-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one?
5-chloro-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 250.69 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).