6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine

C16H19N3S — CID 684377

IUPAC6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine
SMILESC=CCc1c(C)nc(SC)nc1Nc1ccc(C)cc1
InChIInChI=1S/C16H19N3S/c1-5-6-14-12(3)17-16(20-4)19-15(14)18-13-9-7-11(2)8-10-13/h5,7-10H,1,6H2,2-4H3,(H,17,18,19)
InChIKeyRCYQOVZSENVUQP-UHFFFAOYSA-N
MW285.42 g/mol
LogP4.29
Rot. Bonds5

About 6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine

6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine (PubChem CID 684377) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine
PubChem CID684377
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine
SMILESC=CCc1c(C)nc(SC)nc1Nc1ccc(C)cc1
InChIInChI=1S/C16H19N3S/c1-5-6-14-12(3)17-16(20-4)19-15(14)18-13-9-7-11(2)8-10-13/h5,7-10H,1,6H2,2-4H3,(H,17,18,19)
InChIKeyRCYQOVZSENVUQP-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine 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

Cyprodinil
CID 86367
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
4-Amino-2,6-diphenylpyrimidine
CID 619020
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
N-(4-butylphenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 16030702
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
N~2~-benzyl-6-methyl-N~4~-(4-methylphenyl)-2,4-pyrimidinediamine
CID 721060
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
3,6-dimethyl-4-N-(pentan-3-yl)-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-diamine
CID 21912204
6-Benzyl-2-(1-phenylethylsulfanyl)pyrimidin-4-amine
CID 44816741
6-Benzyl-2-(o-tolylmethylsulfanyl)pyrimidin-4-amine
CID 46861690

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine (CID 684377) is 6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine is C=CCc1c(C)nc(SC)nc1Nc1ccc(C)cc1.
What is the InChIKey of 6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine?
The InChIKey is RCYQOVZSENVUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-5-6-14-12(3)17-16(20-4)19-15(14)18-13-9-7-11(2)8-10-13/h5,7-10H,1,6H2,2-4H3,(H,17,18,19).
What are the key properties of 6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine?
6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine has a molecular weight of 285.42 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine is sourced from PubChem (CID 684377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).