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

C16H15N3OS — CID 3235008

IUPAC2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2nccc(NCc3cccs3)n2)c1
InChIInChI=1S/C16H15N3OS/c1-20-13-5-2-4-12(10-13)16-17-8-7-15(19-16)18-11-14-6-3-9-21-14/h2-10H,11H2,1H3,(H,17,18,19)
InChIKeyXQCMMUHZXBKSHP-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.83
Rot. Bonds5

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

2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 3235008) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID3235008
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2nccc(NCc3cccs3)n2)c1
InChIInChI=1S/C16H15N3OS/c1-20-13-5-2-4-12(10-13)16-17-8-7-15(19-16)18-11-14-6-3-9-21-14/h2-10H,11H2,1H3,(H,17,18,19)
InChIKeyXQCMMUHZXBKSHP-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 2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 3235008) is 2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is COc1cccc(-c2nccc(NCc3cccs3)n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is XQCMMUHZXBKSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-20-13-5-2-4-12(10-13)16-17-8-7-15(19-16)18-11-14-6-3-9-21-14/h2-10H,11H2,1H3,(H,17,18,19).
What are the key properties of 2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
2-(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 2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 3235008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).