4-methoxy-6-(4-methylphenyl)sulfanylpyrimidin-2-amine

C12H13N3OS — CID 114053330

IUPAC4-methoxy-6-(4-methylphenyl)sulfanylpyrimidin-2-amine
SMILESCOc1cc(Sc2ccc(C)cc2)nc(N)n1
InChIInChI=1S/C12H13N3OS/c1-8-3-5-9(6-4-8)17-11-7-10(16-2)14-12(13)15-11/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyMHCNPNXIFGSGLG-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.53
Rot. Bonds3

About 4-methoxy-6-(4-methylphenyl)sulfanylpyrimidin-2-amine

4-methoxy-6-(4-methylphenyl)sulfanylpyrimidin-2-amine (PubChem CID 114053330) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-methoxy-6-(4-methylphenyl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(4-methylphenyl)sulfanylpyrimidin-2-amine
PubChem CID114053330
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name4-methoxy-6-(4-methylphenyl)sulfanylpyrimidin-2-amine
SMILESCOc1cc(Sc2ccc(C)cc2)nc(N)n1
InChIInChI=1S/C12H13N3OS/c1-8-3-5-9(6-4-8)17-11-7-10(16-2)14-12(13)15-11/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyMHCNPNXIFGSGLG-UHFFFAOYSA-N
XLogP2.53
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-6-(4-methylphenyl)sulfanylpyrimidin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(4-methylphenyl)sulfanylpyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-(4-methylphenyl)sulfanylpyrimidin-2-amine (CID 114053330) is 4-methoxy-6-(4-methylphenyl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-(4-methylphenyl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-(4-methylphenyl)sulfanylpyrimidin-2-amine is COc1cc(Sc2ccc(C)cc2)nc(N)n1.
What is the InChIKey of 4-methoxy-6-(4-methylphenyl)sulfanylpyrimidin-2-amine?
The InChIKey is MHCNPNXIFGSGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8-3-5-9(6-4-8)17-11-7-10(16-2)14-12(13)15-11/h3-7H,1-2H3,(H2,13,14,15).
What are the key properties of 4-methoxy-6-(4-methylphenyl)sulfanylpyrimidin-2-amine?
4-methoxy-6-(4-methylphenyl)sulfanylpyrimidin-2-amine has a molecular weight of 247.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(4-methylphenyl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 114053330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).