6-chloro-2-phenyl-N-thiophen-3-ylpyrimidin-4-amine

C14H10ClN3S — CID 112559672

IUPAC6-chloro-2-phenyl-N-thiophen-3-ylpyrimidin-4-amine
SMILESClc1cc(Nc2ccsc2)nc(-c2ccccc2)n1
InChIInChI=1S/C14H10ClN3S/c15-12-8-13(16-11-6-7-19-9-11)18-14(17-12)10-4-2-1-3-5-10/h1-9H,(H,16,17,18)
InChIKeyYXFAWHGYFJSTAL-UHFFFAOYSA-N
MW287.78 g/mol
LogP4.60
Rot. Bonds3

About 6-chloro-2-phenyl-N-thiophen-3-ylpyrimidin-4-amine

6-chloro-2-phenyl-N-thiophen-3-ylpyrimidin-4-amine (PubChem CID 112559672) has the molecular formula C14H10ClN3S and a molecular weight of 287.78 g/mol. Its IUPAC name is 6-chloro-2-phenyl-N-thiophen-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-phenyl-N-thiophen-3-ylpyrimidin-4-amine
PubChem CID112559672
Molecular FormulaC14H10ClN3S
Molecular Weight287.78 g/mol
Exact Mass287.03
IUPAC Name6-chloro-2-phenyl-N-thiophen-3-ylpyrimidin-4-amine
SMILESClc1cc(Nc2ccsc2)nc(-c2ccccc2)n1
InChIInChI=1S/C14H10ClN3S/c15-12-8-13(16-11-6-7-19-9-11)18-14(17-12)10-4-2-1-3-5-10/h1-9H,(H,16,17,18)
InChIKeyYXFAWHGYFJSTAL-UHFFFAOYSA-N
XLogP4.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.78
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-phenyl-N-thiophen-3-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-phenyl-N-thiophen-3-ylpyrimidin-4-amine (CID 112559672) is 6-chloro-2-phenyl-N-thiophen-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-phenyl-N-thiophen-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-phenyl-N-thiophen-3-ylpyrimidin-4-amine is Clc1cc(Nc2ccsc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-chloro-2-phenyl-N-thiophen-3-ylpyrimidin-4-amine?
The InChIKey is YXFAWHGYFJSTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3S/c15-12-8-13(16-11-6-7-19-9-11)18-14(17-12)10-4-2-1-3-5-10/h1-9H,(H,16,17,18).
What are the key properties of 6-chloro-2-phenyl-N-thiophen-3-ylpyrimidin-4-amine?
6-chloro-2-phenyl-N-thiophen-3-ylpyrimidin-4-amine has a molecular weight of 287.78 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-phenyl-N-thiophen-3-ylpyrimidin-4-amine is sourced from PubChem (CID 112559672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).