N-(3-methylphenyl)-4-thiophen-3-ylpyrimidin-2-amine

C15H13N3S — CID 14347013

IUPACN-(3-methylphenyl)-4-thiophen-3-ylpyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3ccsc3)n2)c1
InChIInChI=1S/C15H13N3S/c1-11-3-2-4-13(9-11)17-15-16-7-5-14(18-15)12-6-8-19-10-12/h2-10H,1H3,(H,16,17,18)
InChIKeyWEMYNKVNBGJHIZ-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.26
Rot. Bonds3

About N-(3-methylphenyl)-4-thiophen-3-ylpyrimidin-2-amine

N-(3-methylphenyl)-4-thiophen-3-ylpyrimidin-2-amine (PubChem CID 14347013) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-thiophen-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-thiophen-3-ylpyrimidin-2-amine
PubChem CID14347013
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC NameN-(3-methylphenyl)-4-thiophen-3-ylpyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3ccsc3)n2)c1
InChIInChI=1S/C15H13N3S/c1-11-3-2-4-13(9-11)17-15-16-7-5-14(18-15)12-6-8-19-10-12/h2-10H,1H3,(H,16,17,18)
InChIKeyWEMYNKVNBGJHIZ-UHFFFAOYSA-N
XLogP4.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-thiophen-3-ylpyrimidin-2-amine?
The IUPAC name of N-(3-methylphenyl)-4-thiophen-3-ylpyrimidin-2-amine (CID 14347013) is N-(3-methylphenyl)-4-thiophen-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-4-thiophen-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(3-methylphenyl)-4-thiophen-3-ylpyrimidin-2-amine is Cc1cccc(Nc2nccc(-c3ccsc3)n2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-thiophen-3-ylpyrimidin-2-amine?
The InChIKey is WEMYNKVNBGJHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-11-3-2-4-13(9-11)17-15-16-7-5-14(18-15)12-6-8-19-10-12/h2-10H,1H3,(H,16,17,18).
What are the key properties of N-(3-methylphenyl)-4-thiophen-3-ylpyrimidin-2-amine?
N-(3-methylphenyl)-4-thiophen-3-ylpyrimidin-2-amine has a molecular weight of 267.36 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-thiophen-3-ylpyrimidin-2-amine is sourced from PubChem (CID 14347013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).