4-(4-methylphenyl)-6-thiophen-2-ylpyrimidin-2-amine

C15H13N3S — CID 75358133

IUPAC4-(4-methylphenyl)-6-thiophen-2-ylpyrimidin-2-amine
SMILESCc1ccc(-c2cc(-c3cccs3)nc(N)n2)cc1
InChIInChI=1S/C15H13N3S/c1-10-4-6-11(7-5-10)12-9-13(18-15(16)17-12)14-3-2-8-19-14/h2-9H,1H3,(H2,16,17,18)
InChIKeyLHYWHSPFICCNOT-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.76
Rot. Bonds2

About 4-(4-methylphenyl)-6-thiophen-2-ylpyrimidin-2-amine

4-(4-methylphenyl)-6-thiophen-2-ylpyrimidin-2-amine (PubChem CID 75358133) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 4-(4-methylphenyl)-6-thiophen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-6-thiophen-2-ylpyrimidin-2-amine
PubChem CID75358133
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name4-(4-methylphenyl)-6-thiophen-2-ylpyrimidin-2-amine
SMILESCc1ccc(-c2cc(-c3cccs3)nc(N)n2)cc1
InChIInChI=1S/C15H13N3S/c1-10-4-6-11(7-5-10)12-9-13(18-15(16)17-12)14-3-2-8-19-14/h2-9H,1H3,(H2,16,17,18)
InChIKeyLHYWHSPFICCNOT-UHFFFAOYSA-N
XLogP3.76
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-6-thiophen-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(4-methylphenyl)-6-thiophen-2-ylpyrimidin-2-amine (CID 75358133) is 4-(4-methylphenyl)-6-thiophen-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylphenyl)-6-thiophen-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4-methylphenyl)-6-thiophen-2-ylpyrimidin-2-amine is Cc1ccc(-c2cc(-c3cccs3)nc(N)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-6-thiophen-2-ylpyrimidin-2-amine?
The InChIKey is LHYWHSPFICCNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-10-4-6-11(7-5-10)12-9-13(18-15(16)17-12)14-3-2-8-19-14/h2-9H,1H3,(H2,16,17,18).
What are the key properties of 4-(4-methylphenyl)-6-thiophen-2-ylpyrimidin-2-amine?
4-(4-methylphenyl)-6-thiophen-2-ylpyrimidin-2-amine has a molecular weight of 267.36 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-6-thiophen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 75358133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).