2-methylsulfanyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine

C14H18N4S — CID 80831839

IUPAC2-methylsulfanyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NC(C)Cc2ccccc2)n1
InChIInChI=1S/C14H18N4S/c1-10(8-11-6-4-3-5-7-11)16-13-9-12(15)17-14(18-13)19-2/h3-7,9-10H,8H2,1-2H3,(H3,15,16,17,18)
InChIKeySJAYEAPRUYNZGA-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.82
Rot. Bonds5

About 2-methylsulfanyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine

2-methylsulfanyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80831839) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-methylsulfanyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methylsulfanyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine
PubChem CID80831839
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name2-methylsulfanyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NC(C)Cc2ccccc2)n1
InChIInChI=1S/C14H18N4S/c1-10(8-11-6-4-3-5-7-11)16-13-9-12(15)17-14(18-13)19-2/h3-7,9-10H,8H2,1-2H3,(H3,15,16,17,18)
InChIKeySJAYEAPRUYNZGA-UHFFFAOYSA-N
XLogP2.82
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methylsulfanyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-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

2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80766259
4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80801282
2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80808927
4-N-(3,3-dimethylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 104830518
2-cyclopropyl-4-N-[1-(4-fluorophenyl)propan-2-yl]pyrimidine-4,6-diamine
CID 80958842
4-N-(2-ethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80761502
4,6-dimethyl-N-(1-phenylpropan-2-yl)pyrimidin-2-amine
CID 63011106
2,6-dimethyl-N-(1-phenylpropan-2-yl)pyridin-4-amine
CID 114272175
2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol
CID 80907395
6-hydrazinyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
CID 80915241
N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80932956
4-N-(4-methylpentyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80831312

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methylsulfanyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine (CID 80831839) is 2-methylsulfanyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methylsulfanyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methylsulfanyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine is CSc1nc(N)cc(NC(C)Cc2ccccc2)n1.
What is the InChIKey of 2-methylsulfanyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is SJAYEAPRUYNZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-10(8-11-6-4-3-5-7-11)16-13-9-12(15)17-14(18-13)19-2/h3-7,9-10H,8H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 2-methylsulfanyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine?
2-methylsulfanyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 274.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80831839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).