4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one

C9H13N3O — CID 136852217

IUPAC4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(CNc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C9H13N3O/c1-9(2-3-9)5-10-7-4-8(13)12-6-11-7/h4,6H,2-3,5H2,1H3,(H2,10,11,12,13)
InChIKeyZGXBUOMXTYVACO-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.98
Rot. Bonds3

About 4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one

4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136852217) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136852217
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(CNc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C9H13N3O/c1-9(2-3-9)5-10-7-4-8(13)12-6-11-7/h4,6H,2-3,5H2,1H3,(H2,10,11,12,13)
InChIKeyZGXBUOMXTYVACO-UHFFFAOYSA-N
XLogP0.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
2-Amino-6-(butylamino)pyrimidin-4(3H)-one
CID 135408602
4-(Ethylamino)-6-hydroxypyrimidine
CID 135577485
6-[(2,2-Difluorobutyl)amino]-3,4-dihydropyrimidin-4-one
CID 164654754
4-(cyclopropylamino)-1H-pyrimidin-6-one
CID 136006849
4-(propylamino)-1H-pyrimidin-6-one
CID 136291322
4-(3,3-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136462243
4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 136650100
4-(pentylamino)-1H-pyrimidin-6-one
CID 136955957
4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 136955962
4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136957461

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one (CID 136852217) is 4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one is CC1(CNc2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is ZGXBUOMXTYVACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-9(2-3-9)5-10-7-4-8(13)12-6-11-7/h4,6H,2-3,5H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 179.22 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136852217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).