4-amino-6-(4-methylphenyl)-2-oxo-1H-pyrimidine-5-carbonitrile

C12H10N4O — CID 134986986

IUPAC4-amino-6-(4-methylphenyl)-2-oxo-1H-pyrimidine-5-carbonitrile
SMILESCc1ccc(-c2[nH]c(=O)nc(N)c2C#N)cc1
InChIInChI=1S/C12H10N4O/c1-7-2-4-8(5-3-7)10-9(6-13)11(14)16-12(17)15-10/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyYPRQKSVVDCONTN-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.20
Rot. Bonds1

About 4-amino-6-(4-methylphenyl)-2-oxo-1H-pyrimidine-5-carbonitrile

4-amino-6-(4-methylphenyl)-2-oxo-1H-pyrimidine-5-carbonitrile (PubChem CID 134986986) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-amino-6-(4-methylphenyl)-2-oxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-(4-methylphenyl)-2-oxo-1H-pyrimidine-5-carbonitrile
PubChem CID134986986
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name4-amino-6-(4-methylphenyl)-2-oxo-1H-pyrimidine-5-carbonitrile
SMILESCc1ccc(-c2[nH]c(=O)nc(N)c2C#N)cc1
InChIInChI=1S/C12H10N4O/c1-7-2-4-8(5-3-7)10-9(6-13)11(14)16-12(17)15-10/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyYPRQKSVVDCONTN-UHFFFAOYSA-N
XLogP1.20
TPSA95.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-methylphenyl)-2-oxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-(4-methylphenyl)-2-oxo-1H-pyrimidine-5-carbonitrile (CID 134986986) is 4-amino-6-(4-methylphenyl)-2-oxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-(4-methylphenyl)-2-oxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-(4-methylphenyl)-2-oxo-1H-pyrimidine-5-carbonitrile is Cc1ccc(-c2[nH]c(=O)nc(N)c2C#N)cc1.
What is the InChIKey of 4-amino-6-(4-methylphenyl)-2-oxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is YPRQKSVVDCONTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-7-2-4-8(5-3-7)10-9(6-13)11(14)16-12(17)15-10/h2-5H,1H3,(H3,14,15,16,17).
What are the key properties of 4-amino-6-(4-methylphenyl)-2-oxo-1H-pyrimidine-5-carbonitrile?
4-amino-6-(4-methylphenyl)-2-oxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 226.24 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-methylphenyl)-2-oxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 134986986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).