5-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

C16H15N3OS — CID 3233095

IUPAC5-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2cncnc2NCc2cccs2)c1
InChIInChI=1S/C16H15N3OS/c1-20-13-5-2-4-12(8-13)15-10-17-11-19-16(15)18-9-14-6-3-7-21-14/h2-8,10-11H,9H2,1H3,(H,17,18,19)
InChIKeyBHNGHXARKBYTKK-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.83
Rot. Bonds5

About 5-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

5-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 3233095) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID3233095
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name5-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2cncnc2NCc2cccs2)c1
InChIInChI=1S/C16H15N3OS/c1-20-13-5-2-4-12(8-13)15-10-17-11-19-16(15)18-9-14-6-3-7-21-14/h2-8,10-11H,9H2,1H3,(H,17,18,19)
InChIKeyBHNGHXARKBYTKK-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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 3233095) is 5-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is COc1cccc(-c2cncnc2NCc2cccs2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is BHNGHXARKBYTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-20-13-5-2-4-12(8-13)15-10-17-11-19-16(15)18-9-14-6-3-7-21-14/h2-8,10-11H,9H2,1H3,(H,17,18,19).
What are the key properties of 5-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
5-(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 5-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 3233095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).