2-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

C15H12ClN3S — CID 3235233

IUPAC2-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESClc1ccccc1-c1nccc(NCc2cccs2)n1
InChIInChI=1S/C15H12ClN3S/c16-13-6-2-1-5-12(13)15-17-8-7-14(19-15)18-10-11-4-3-9-20-11/h1-9H,10H2,(H,17,18,19)
InChIKeyXMGQRDXCZQVMMG-UHFFFAOYSA-N
MW301.80 g/mol
LogP4.47
Rot. Bonds4

About 2-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

2-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 3235233) has the molecular formula C15H12ClN3S and a molecular weight of 301.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID3235233
Molecular FormulaC15H12ClN3S
Molecular Weight301.80 g/mol
Exact Mass301.04
IUPAC Name2-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESClc1ccccc1-c1nccc(NCc2cccs2)n1
InChIInChI=1S/C15H12ClN3S/c16-13-6-2-1-5-12(13)15-17-8-7-14(19-15)18-10-11-4-3-9-20-11/h1-9H,10H2,(H,17,18,19)
InChIKeyXMGQRDXCZQVMMG-UHFFFAOYSA-N
XLogP4.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 3235233) is 2-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is Clc1ccccc1-c1nccc(NCc2cccs2)n1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is XMGQRDXCZQVMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3S/c16-13-6-2-1-5-12(13)15-17-8-7-14(19-15)18-10-11-4-3-9-20-11/h1-9H,10H2,(H,17,18,19).
What are the key properties of 2-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
2-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 301.80 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 3235233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).