(2-amino-5-pyrimidin-5-ylthiophen-3-yl)-(4-chlorophenyl)methanone

C15H10ClN3OS — CID 46939633

IUPAC(2-amino-5-pyrimidin-5-ylthiophen-3-yl)-(4-chlorophenyl)methanone
SMILESNc1sc(-c2cncnc2)cc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClN3OS/c16-11-3-1-9(2-4-11)14(20)12-5-13(21-15(12)17)10-6-18-8-19-7-10/h1-8H,17H2
InChIKeyWLISMTOBQZADTR-UHFFFAOYSA-N
MW315.79 g/mol
LogP3.67
Rot. Bonds3

About (2-amino-5-pyrimidin-5-ylthiophen-3-yl)-(4-chlorophenyl)methanone

(2-amino-5-pyrimidin-5-ylthiophen-3-yl)-(4-chlorophenyl)methanone (PubChem CID 46939633) has the molecular formula C15H10ClN3OS and a molecular weight of 315.79 g/mol. Its IUPAC name is (2-amino-5-pyrimidin-5-ylthiophen-3-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-pyrimidin-5-ylthiophen-3-yl)-(4-chlorophenyl)methanone
PubChem CID46939633
Molecular FormulaC15H10ClN3OS
Molecular Weight315.79 g/mol
Exact Mass315.02
IUPAC Name(2-amino-5-pyrimidin-5-ylthiophen-3-yl)-(4-chlorophenyl)methanone
SMILESNc1sc(-c2cncnc2)cc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClN3OS/c16-11-3-1-9(2-4-11)14(20)12-5-13(21-15(12)17)10-6-18-8-19-7-10/h1-8H,17H2
InChIKeyWLISMTOBQZADTR-UHFFFAOYSA-N
XLogP3.67
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-pyrimidin-5-ylthiophen-3-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (2-amino-5-pyrimidin-5-ylthiophen-3-yl)-(4-chlorophenyl)methanone (CID 46939633) is (2-amino-5-pyrimidin-5-ylthiophen-3-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (2-amino-5-pyrimidin-5-ylthiophen-3-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (2-amino-5-pyrimidin-5-ylthiophen-3-yl)-(4-chlorophenyl)methanone is Nc1sc(-c2cncnc2)cc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2-amino-5-pyrimidin-5-ylthiophen-3-yl)-(4-chlorophenyl)methanone?
The InChIKey is WLISMTOBQZADTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3OS/c16-11-3-1-9(2-4-11)14(20)12-5-13(21-15(12)17)10-6-18-8-19-7-10/h1-8H,17H2.
What are the key properties of (2-amino-5-pyrimidin-5-ylthiophen-3-yl)-(4-chlorophenyl)methanone?
(2-amino-5-pyrimidin-5-ylthiophen-3-yl)-(4-chlorophenyl)methanone has a molecular weight of 315.79 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-pyrimidin-5-ylthiophen-3-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 46939633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).