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

C12H10N4S — CID 6425727

IUPAC4-amino-6-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
SMILESCc1ccc(-c2[nH]c(=S)nc(N)c2C#N)cc1
InChIInChI=1S/C12H10N4S/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)
InChIKeyVHFGQVKCHHHGJG-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.57
Rot. Bonds1

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

4-amino-6-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile (PubChem CID 6425727) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 4-amino-6-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
PubChem CID6425727
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name4-amino-6-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
SMILESCc1ccc(-c2[nH]c(=S)nc(N)c2C#N)cc1
InChIInChI=1S/C12H10N4S/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)
InChIKeyVHFGQVKCHHHGJG-UHFFFAOYSA-N
XLogP2.57
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-amino-6-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-Methylphenyl)-2-pyrimidinethiol
CID 1490196
6-(4-fluorophenyl)-4-hydrazinyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 73351046
6-phenyl-4-(1-piperidyl)-2-thioxo-1H-pyrimidine-5-carbonitrile
CID 45028811
4-Methyl-2-phenyl-6-thioxo-1,6-dihydropyrimidine-5-carbonitrile
CID 1133443
2-Amino-4-phenyl-6-thioxo-1,6-dihydro-pyrimidine-5-carbonitrile
CID 13090226
AC1Nta8W
CID 5376550
2-(5-cyano-4-methylsulfanyl-2-phenyl-1H-pyrimidin-6-ylidene)propanedinitrile
CID 2801168
4-Amino-2-oxo-6-phenyl-1,2-dihydropyrimidine-5-carbonitrile
CID 12848051
4,6-diphenyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 13170860
6-Methyl-2-phenyl-4-pyrimidinylidenemalononitrile
CID 15372801
5-Methyl(phenyl)pyrimidinylidenemalononitrile
CID 129798965
4-amino-6-(4-methylphenyl)-2-oxo-1H-pyrimidine-5-carbonitrile
CID 134986986

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile (CID 6425727) is 4-amino-6-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile is Cc1ccc(-c2[nH]c(=S)nc(N)c2C#N)cc1.
What is the InChIKey of 4-amino-6-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile?
The InChIKey is VHFGQVKCHHHGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/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-sulfanylidene-1H-pyrimidine-5-carbonitrile?
4-amino-6-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile has a molecular weight of 242.31 g/mol, XLogP of 2.57, 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-sulfanylidene-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 6425727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).