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

C14H10ClN3S — CID 75358132

IUPAC4-(4-chlorophenyl)-6-thiophen-2-ylpyrimidin-2-amine
SMILESNc1nc(-c2ccc(Cl)cc2)cc(-c2cccs2)n1
InChIInChI=1S/C14H10ClN3S/c15-10-5-3-9(4-6-10)11-8-12(18-14(16)17-11)13-2-1-7-19-13/h1-8H,(H2,16,17,18)
InChIKeyHOIHXUJRDWHXIY-UHFFFAOYSA-N
MW287.78 g/mol
LogP4.11
Rot. Bonds2

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

4-(4-chlorophenyl)-6-thiophen-2-ylpyrimidin-2-amine (PubChem CID 75358132) has the molecular formula C14H10ClN3S and a molecular weight of 287.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-thiophen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-thiophen-2-ylpyrimidin-2-amine
PubChem CID75358132
Molecular FormulaC14H10ClN3S
Molecular Weight287.78 g/mol
Exact Mass287.03
IUPAC Name4-(4-chlorophenyl)-6-thiophen-2-ylpyrimidin-2-amine
SMILESNc1nc(-c2ccc(Cl)cc2)cc(-c2cccs2)n1
InChIInChI=1S/C14H10ClN3S/c15-10-5-3-9(4-6-10)11-8-12(18-14(16)17-11)13-2-1-7-19-13/h1-8H,(H2,16,17,18)
InChIKeyHOIHXUJRDWHXIY-UHFFFAOYSA-N
XLogP4.11
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.78
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-thiophen-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-6-thiophen-2-ylpyrimidin-2-amine (CID 75358132) is 4-(4-chlorophenyl)-6-thiophen-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-6-thiophen-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-6-thiophen-2-ylpyrimidin-2-amine is Nc1nc(-c2ccc(Cl)cc2)cc(-c2cccs2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-6-thiophen-2-ylpyrimidin-2-amine?
The InChIKey is HOIHXUJRDWHXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3S/c15-10-5-3-9(4-6-10)11-8-12(18-14(16)17-11)13-2-1-7-19-13/h1-8H,(H2,16,17,18).
What are the key properties of 4-(4-chlorophenyl)-6-thiophen-2-ylpyrimidin-2-amine?
4-(4-chlorophenyl)-6-thiophen-2-ylpyrimidin-2-amine has a molecular weight of 287.78 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-thiophen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 75358132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).