6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

C16H15N3OS — CID 3234363

IUPAC6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2cc(NCc3cccs3)ncn2)c1
InChIInChI=1S/C16H15N3OS/c1-20-13-5-2-4-12(8-13)15-9-16(19-11-18-15)17-10-14-6-3-7-21-14/h2-9,11H,10H2,1H3,(H,17,18,19)
InChIKeyZHFZIHWBPKDXAF-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.83
Rot. Bonds5

About 6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 3234363) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID3234363
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2cc(NCc3cccs3)ncn2)c1
InChIInChI=1S/C16H15N3OS/c1-20-13-5-2-4-12(8-13)15-9-16(19-11-18-15)17-10-14-6-3-7-21-14/h2-9,11H,10H2,1H3,(H,17,18,19)
InChIKeyZHFZIHWBPKDXAF-UHFFFAOYSA-N
XLogP3.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)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

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 3234363) is 6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is COc1cccc(-c2cc(NCc3cccs3)ncn2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is ZHFZIHWBPKDXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-20-13-5-2-4-12(8-13)15-9-16(19-11-18-15)17-10-14-6-3-7-21-14/h2-9,11H,10H2,1H3,(H,17,18,19).
What are the key properties of 6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 297.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 3234363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).