4-(methylamino)-1H-pyrimidin-6-one

C5H7N3O — CID 135481447

IUPAC4-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1cc(=O)[nH]cn1
InChIInChI=1S/C5H7N3O/c1-6-4-2-5(9)8-3-7-4/h2-3H,1H3,(H2,6,7,8,9)
InChIKeyOMVCZENBLPMWSA-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.19
Rot. Bonds1

About 4-(methylamino)-1H-pyrimidin-6-one

4-(methylamino)-1H-pyrimidin-6-one (PubChem CID 135481447) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 4-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methylamino)-1H-pyrimidin-6-one
PubChem CID135481447
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name4-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1cc(=O)[nH]cn1
InChIInChI=1S/C5H7N3O/c1-6-4-2-5(9)8-3-7-4/h2-3H,1H3,(H2,6,7,8,9)
InChIKeyOMVCZENBLPMWSA-UHFFFAOYSA-N
XLogP-0.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one
CID 136713910
4-(1-ethoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136956387
4-[(3,5-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136956826
4-[(2-hydroxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136956783
4-(piperidin-1-ylamino)-1H-pyrimidin-6-one
CID 136976653
4-(2-heptan-4-ylidenehydrazinyl)-1H-pyrimidin-6-one
CID 136631239
4-(1-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136956697
4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one
CID 136817750
4-[(1-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136956636
4-[(1-ethylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136857200
4-(pent-4-en-2-ylamino)-1H-pyrimidin-6-one
CID 136977021
4-[(2,6-dimethylpiperidin-1-yl)amino]-1H-pyrimidin-6-one
CID 136976661

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(methylamino)-1H-pyrimidin-6-one (CID 135481447) is 4-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methylamino)-1H-pyrimidin-6-one is CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is OMVCZENBLPMWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-6-4-2-5(9)8-3-7-4/h2-3H,1H3,(H2,6,7,8,9).
What are the key properties of 4-(methylamino)-1H-pyrimidin-6-one?
4-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 125.13 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135481447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).