2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

C14H12N4S — CID 3233723

IUPAC2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESc1cncc(-c2nccc(NCc3cccs3)n2)c1
InChIInChI=1S/C14H12N4S/c1-3-11(9-15-6-1)14-16-7-5-13(18-14)17-10-12-4-2-8-19-12/h1-9H,10H2,(H,16,17,18)
InChIKeyYZYVKYWORLHIDD-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.21
Rot. Bonds4

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

2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 3233723) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID3233723
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC Name2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESc1cncc(-c2nccc(NCc3cccs3)n2)c1
InChIInChI=1S/C14H12N4S/c1-3-11(9-15-6-1)14-16-7-5-13(18-14)17-10-12-4-2-8-19-12/h1-9H,10H2,(H,16,17,18)
InChIKeyYZYVKYWORLHIDD-UHFFFAOYSA-N
XLogP3.21
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 3233723) is 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is c1cncc(-c2nccc(NCc3cccs3)n2)c1.
What is the InChIKey of 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is YZYVKYWORLHIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c1-3-11(9-15-6-1)14-16-7-5-13(18-14)17-10-12-4-2-8-19-12/h1-9H,10H2,(H,16,17,18).
What are the key properties of 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 268.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 3233723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).