6-(4-methylphenyl)sulfanyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine

C19H20N4S — CID 19145707

IUPAC6-(4-methylphenyl)sulfanyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
SMILESCc1ccc(Sc2ncnc(NC(C)c3ccccc3)c2N)cc1
InChIInChI=1S/C19H20N4S/c1-13-8-10-16(11-9-13)24-19-17(20)18(21-12-22-19)23-14(2)15-6-4-3-5-7-15/h3-12,14H,20H2,1-2H3,(H,21,22,23)
InChIKeyWOALLVOWNYNAHE-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.69
Rot. Bonds5

About 6-(4-methylphenyl)sulfanyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine

6-(4-methylphenyl)sulfanyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine (PubChem CID 19145707) has the molecular formula C19H20N4S and a molecular weight of 336.46 g/mol. Its IUPAC name is 6-(4-methylphenyl)sulfanyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-methylphenyl)sulfanyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
PubChem CID19145707
Molecular FormulaC19H20N4S
Molecular Weight336.46 g/mol
Exact Mass336.14
IUPAC Name6-(4-methylphenyl)sulfanyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
SMILESCc1ccc(Sc2ncnc(NC(C)c3ccccc3)c2N)cc1
InChIInChI=1S/C19H20N4S/c1-13-8-10-16(11-9-13)24-19-17(20)18(21-12-22-19)23-14(2)15-6-4-3-5-7-15/h3-12,14H,20H2,1-2H3,(H,21,22,23)
InChIKeyWOALLVOWNYNAHE-UHFFFAOYSA-N
XLogP4.69
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-methylphenyl)sulfanyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine 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-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149890
4-(2,2-diphenylhydrazinyl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19146603
6-hydrazinyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
CID 19145712
4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19135261
6-(4-methylphenyl)sulfanyl-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 5050817
6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19135224
4-hydrazinyl-6-phenylsulfanylpyrimidin-5-amine
CID 19149700
4-N-[(2-chlorophenyl)methyl]-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19149957
6-N-(3-methylbutyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19145751
6-N-(2,3-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19143141
4-N-(3-chlorophenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19148358
N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-bromobenzohydrazide
CID 19149902

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)sulfanyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-methylphenyl)sulfanyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine (CID 19145707) is 6-(4-methylphenyl)sulfanyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-methylphenyl)sulfanyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-methylphenyl)sulfanyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine is Cc1ccc(Sc2ncnc(NC(C)c3ccccc3)c2N)cc1.
What is the InChIKey of 6-(4-methylphenyl)sulfanyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine?
The InChIKey is WOALLVOWNYNAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4S/c1-13-8-10-16(11-9-13)24-19-17(20)18(21-12-22-19)23-14(2)15-6-4-3-5-7-15/h3-12,14H,20H2,1-2H3,(H,21,22,23).
What are the key properties of 6-(4-methylphenyl)sulfanyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine?
6-(4-methylphenyl)sulfanyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine has a molecular weight of 336.46 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)sulfanyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19145707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).