4-[methyl(propyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile

C9H12N4O — CID 115143512

IUPAC4-[methyl(propyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
SMILESCCCN(C)c1cc(C#N)[nH]c(=O)n1
InChIInChI=1S/C9H12N4O/c1-3-4-13(2)8-5-7(6-10)11-9(14)12-8/h5H,3-4H2,1-2H3,(H,11,12,14)
InChIKeyJASJSUUUHMOYQL-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.49
Rot. Bonds3

About 4-[methyl(propyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile

4-[methyl(propyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile (PubChem CID 115143512) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-[methyl(propyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name4-[methyl(propyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
PubChem CID115143512
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name4-[methyl(propyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
SMILESCCCN(C)c1cc(C#N)[nH]c(=O)n1
InChIInChI=1S/C9H12N4O/c1-3-4-13(2)8-5-7(6-10)11-9(14)12-8/h5H,3-4H2,1-2H3,(H,11,12,14)
InChIKeyJASJSUUUHMOYQL-UHFFFAOYSA-N
XLogP0.49
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(pentyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143689
4-[(2,5-dimethylphenyl)methyl-methylamino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143627
4-[(3,4-dimethylphenyl)methyl-methylamino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143626
4-[methyl-[(2-methylphenyl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143637
4-(N-methyl-4-propylanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143529
4-(4-ethyl-N-methylanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143518
4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143652
4-[1,3-benzoxazol-6-yl(methyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143543
2-oxo-4-(4-propylanilino)-1H-pyrimidine-6-carbonitrile
CID 115143461
2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
CID 137009106
2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]propanenitrile
CID 82402763
2-N,4,6-trimethyl-2-N-propylpyridine-2,5-diamine
CID 83531084

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile?
The IUPAC name of 4-[methyl(propyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile (CID 115143512) is 4-[methyl(propyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile.
What is the SMILES notation for 4-[methyl(propyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile?
The canonical SMILES for 4-[methyl(propyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile is CCCN(C)c1cc(C#N)[nH]c(=O)n1.
What is the InChIKey of 4-[methyl(propyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile?
The InChIKey is JASJSUUUHMOYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-3-4-13(2)8-5-7(6-10)11-9(14)12-8/h5H,3-4H2,1-2H3,(H,11,12,14).
What are the key properties of 4-[methyl(propyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile?
4-[methyl(propyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile is sourced from PubChem (CID 115143512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).