6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine

C13H15N3S — CID 66088954

IUPAC6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
SMILESCc1cccc(SCc2nc(C)cc(N)n2)c1
InChIInChI=1S/C13H15N3S/c1-9-4-3-5-11(6-9)17-8-13-15-10(2)7-12(14)16-13/h3-7H,8H2,1-2H3,(H2,14,15,16)
InChIKeyVTPLVPYGRWCVBL-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.97
Rot. Bonds3

About 6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine

6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine (PubChem CID 66088954) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
PubChem CID66088954
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
SMILESCc1cccc(SCc2nc(C)cc(N)n2)c1
InChIInChI=1S/C13H15N3S/c1-9-4-3-5-11(6-9)17-8-13-15-10(2)7-12(14)16-13/h3-7H,8H2,1-2H3,(H2,14,15,16)
InChIKeyVTPLVPYGRWCVBL-UHFFFAOYSA-N
XLogP2.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-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

2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine
CID 66146663
6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66087798
4,6-dichloro-5-fluoro-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine
CID 80550367
5-bromo-6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66307443
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-methylpyrimidin-4-amine
CID 80654802
5-chloro-6-[(3-methylphenyl)sulfanylmethyl]pyridin-2-amine
CID 62886010
6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine
CID 80653859
2-[(3-methylphenyl)sulfanylmethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 66088183
[5-fluoro-6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
CID 66086639
5-chloro-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 66087015
6-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66072317
4-chloro-6-methyl-2-[(3-methylphenyl)sulfanylmethyl]-5-propan-2-ylpyrimidine
CID 66087152

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine (CID 66088954) is 6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine is Cc1cccc(SCc2nc(C)cc(N)n2)c1.
What is the InChIKey of 6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
The InChIKey is VTPLVPYGRWCVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-9-4-3-5-11(6-9)17-8-13-15-10(2)7-12(14)16-13/h3-7H,8H2,1-2H3,(H2,14,15,16).
What are the key properties of 6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine has a molecular weight of 245.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine is sourced from PubChem (CID 66088954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).