6-(cyclopropylamino)-4-(methylamino)-1H-pyrimidin-2-one

C8H12N4O — CID 83864231

IUPAC6-(cyclopropylamino)-4-(methylamino)-1H-pyrimidin-2-one
SMILESCNc1cc(NC2CC2)[nH]c(=O)n1
InChIInChI=1S/C8H12N4O/c1-9-6-4-7(10-5-2-3-5)12-8(13)11-6/h4-5H,2-3H2,1H3,(H3,9,10,11,12,13)
InChIKeyQUFFZKIRYVCGAH-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.39
Rot. Bonds3

About 6-(cyclopropylamino)-4-(methylamino)-1H-pyrimidin-2-one

6-(cyclopropylamino)-4-(methylamino)-1H-pyrimidin-2-one (PubChem CID 83864231) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 6-(cyclopropylamino)-4-(methylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(cyclopropylamino)-4-(methylamino)-1H-pyrimidin-2-one
PubChem CID83864231
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name6-(cyclopropylamino)-4-(methylamino)-1H-pyrimidin-2-one
SMILESCNc1cc(NC2CC2)[nH]c(=O)n1
InChIInChI=1S/C8H12N4O/c1-9-6-4-7(10-5-2-3-5)12-8(13)11-6/h4-5H,2-3H2,1H3,(H3,9,10,11,12,13)
InChIKeyQUFFZKIRYVCGAH-UHFFFAOYSA-N
XLogP0.39
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-bis(methylamino)-1H-pyrimidin-2-one
CID 83864225
5-N-cyclopropyl-3-N-methyl-1H-pyrazole-3,5-diamine
CID 83864203
2-tert-butyl-6-(cyclopropylamino)-1H-pyrimidine-4-thione
CID 82457381
4-[(1-methylpyrrolidin-3-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143508
4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80803663
4-[(4-hydroxycyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136695137
6-(cyclohexylamino)-3-methyl-1H-pyrimidine-2,4-dione
CID 777243
4-N-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826920
4-(cyclopentylamino)-2-methyl-1H-pyrimidin-6-one
CID 136955900
4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80769558
6-(cyclopropylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 82457632
4-N-(4-ethylcyclohexyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961149

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-4-(methylamino)-1H-pyrimidin-2-one?
The IUPAC name of 6-(cyclopropylamino)-4-(methylamino)-1H-pyrimidin-2-one (CID 83864231) is 6-(cyclopropylamino)-4-(methylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(cyclopropylamino)-4-(methylamino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(cyclopropylamino)-4-(methylamino)-1H-pyrimidin-2-one is CNc1cc(NC2CC2)[nH]c(=O)n1.
What is the InChIKey of 6-(cyclopropylamino)-4-(methylamino)-1H-pyrimidin-2-one?
The InChIKey is QUFFZKIRYVCGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-9-6-4-7(10-5-2-3-5)12-8(13)11-6/h4-5H,2-3H2,1H3,(H3,9,10,11,12,13).
What are the key properties of 6-(cyclopropylamino)-4-(methylamino)-1H-pyrimidin-2-one?
6-(cyclopropylamino)-4-(methylamino)-1H-pyrimidin-2-one has a molecular weight of 180.21 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-4-(methylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 83864231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).