4-(5-benzyl-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine

C20H17N3S — CID 24878396

IUPAC4-(5-benzyl-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine
SMILESCc1c(-c2ccnc(N)n2)sc2ccc(Cc3ccccc3)cc12
InChIInChI=1S/C20H17N3S/c1-13-16-12-15(11-14-5-3-2-4-6-14)7-8-18(16)24-19(13)17-9-10-22-20(21)23-17/h2-10,12H,11H2,1H3,(H2,21,22,23)
InChIKeyVEENBSCKZKHPIB-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.84
Rot. Bonds3

About 4-(5-benzyl-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine

4-(5-benzyl-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine (PubChem CID 24878396) has the molecular formula C20H17N3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-(5-benzyl-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-benzyl-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine
PubChem CID24878396
Molecular FormulaC20H17N3S
Molecular Weight331.44 g/mol
Exact Mass331.11
IUPAC Name4-(5-benzyl-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine
SMILESCc1c(-c2ccnc(N)n2)sc2ccc(Cc3ccccc3)cc12
InChIInChI=1S/C20H17N3S/c1-13-16-12-15(11-14-5-3-2-4-6-14)7-8-18(16)24-19(13)17-9-10-22-20(21)23-17/h2-10,12H,11H2,1H3,(H2,21,22,23)
InChIKeyVEENBSCKZKHPIB-UHFFFAOYSA-N
XLogP4.84
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-benzyl-3-methyl-1-benzothiophen-2-yl)pyrimidin-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-(5-benzyl-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-(5-benzyl-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine (CID 24878396) is 4-(5-benzyl-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-benzyl-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-benzyl-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine is Cc1c(-c2ccnc(N)n2)sc2ccc(Cc3ccccc3)cc12.
What is the InChIKey of 4-(5-benzyl-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine?
The InChIKey is VEENBSCKZKHPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3S/c1-13-16-12-15(11-14-5-3-2-4-6-14)7-8-18(16)24-19(13)17-9-10-22-20(21)23-17/h2-10,12H,11H2,1H3,(H2,21,22,23).
What are the key properties of 4-(5-benzyl-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine?
4-(5-benzyl-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine has a molecular weight of 331.44 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-benzyl-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 24878396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).