4-phenyl-6-thiophen-2-ylpyrimidin-2-amine

C14H11N3S — CID 12762030

IUPAC4-phenyl-6-thiophen-2-ylpyrimidin-2-amine
SMILESNc1nc(-c2ccccc2)cc(-c2cccs2)n1
InChIInChI=1S/C14H11N3S/c15-14-16-11(10-5-2-1-3-6-10)9-12(17-14)13-7-4-8-18-13/h1-9H,(H2,15,16,17)
InChIKeyLMBJCPVEQLYVPC-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.45
Rot. Bonds2

About 4-phenyl-6-thiophen-2-ylpyrimidin-2-amine

4-phenyl-6-thiophen-2-ylpyrimidin-2-amine (PubChem CID 12762030) has the molecular formula C14H11N3S and a molecular weight of 253.33 g/mol. Its IUPAC name is 4-phenyl-6-thiophen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-phenyl-6-thiophen-2-ylpyrimidin-2-amine
PubChem CID12762030
Molecular FormulaC14H11N3S
Molecular Weight253.33 g/mol
Exact Mass253.07
IUPAC Name4-phenyl-6-thiophen-2-ylpyrimidin-2-amine
SMILESNc1nc(-c2ccccc2)cc(-c2cccs2)n1
InChIInChI=1S/C14H11N3S/c15-14-16-11(10-5-2-1-3-6-10)9-12(17-14)13-7-4-8-18-13/h1-9H,(H2,15,16,17)
InChIKeyLMBJCPVEQLYVPC-UHFFFAOYSA-N
XLogP3.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-thiophen-2-ylpyrimidin-2-amine?
The IUPAC name of 4-phenyl-6-thiophen-2-ylpyrimidin-2-amine (CID 12762030) is 4-phenyl-6-thiophen-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-phenyl-6-thiophen-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-phenyl-6-thiophen-2-ylpyrimidin-2-amine is Nc1nc(-c2ccccc2)cc(-c2cccs2)n1.
What is the InChIKey of 4-phenyl-6-thiophen-2-ylpyrimidin-2-amine?
The InChIKey is LMBJCPVEQLYVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S/c15-14-16-11(10-5-2-1-3-6-10)9-12(17-14)13-7-4-8-18-13/h1-9H,(H2,15,16,17).
What are the key properties of 4-phenyl-6-thiophen-2-ylpyrimidin-2-amine?
4-phenyl-6-thiophen-2-ylpyrimidin-2-amine has a molecular weight of 253.33 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-thiophen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 12762030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).