5-methoxy-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one

C12H19N3O2 — CID 136867425

IUPAC5-methoxy-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CCCC2C)nc[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-8-4-3-5-9(8)6-13-11-10(17-2)12(16)15-7-14-11/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyWHNUAZAITBLMDU-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.63
Rot. Bonds4

About 5-methoxy-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one

5-methoxy-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136867425) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-methoxy-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136867425
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-methoxy-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CCCC2C)nc[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-8-4-3-5-9(8)6-13-11-10(17-2)12(16)15-7-14-11/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyWHNUAZAITBLMDU-UHFFFAOYSA-N
XLogP1.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one (CID 136867425) is 5-methoxy-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one is COc1c(NCC2CCCC2C)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is WHNUAZAITBLMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-4-3-5-9(8)6-13-11-10(17-2)12(16)15-7-14-11/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-methoxy-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136867425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).