4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-amine

C16H15N3S — CID 141147845

IUPAC4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2ccc(CCc3ccccc3)s2)n1
InChIInChI=1S/C16H15N3S/c17-16-18-11-10-14(19-16)15-9-8-13(20-15)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H2,17,18,19)
InChIKeyYWERAYZTQYEPAI-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.57
Rot. Bonds4

About 4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-amine

4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-amine (PubChem CID 141147845) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-amine
PubChem CID141147845
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2ccc(CCc3ccccc3)s2)n1
InChIInChI=1S/C16H15N3S/c17-16-18-11-10-14(19-16)15-9-8-13(20-15)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H2,17,18,19)
InChIKeyYWERAYZTQYEPAI-UHFFFAOYSA-N
XLogP3.57
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[5-(2-phenylethyl)thiophen-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-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-amine (CID 141147845) is 4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-amine is Nc1nccc(-c2ccc(CCc3ccccc3)s2)n1.
What is the InChIKey of 4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-amine?
The InChIKey is YWERAYZTQYEPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c17-16-18-11-10-14(19-16)15-9-8-13(20-15)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H2,17,18,19).
What are the key properties of 4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-amine?
4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-amine has a molecular weight of 281.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 141147845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).