N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C13H10ClN3S — CID 2475079

IUPACN-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESClc1ccc(CNc2ncnc3sccc23)cc1
InChIInChI=1S/C13H10ClN3S/c14-10-3-1-9(2-4-10)7-15-12-11-5-6-18-13(11)17-8-16-12/h1-6,8H,7H2,(H,15,16,17)
InChIKeyJVALUGJIYJSMDJ-UHFFFAOYSA-N
MW275.76 g/mol
LogP3.96
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2475079) has the molecular formula C13H10ClN3S and a molecular weight of 275.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID2475079
Molecular FormulaC13H10ClN3S
Molecular Weight275.76 g/mol
Exact Mass275.03
IUPAC NameN-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESClc1ccc(CNc2ncnc3sccc23)cc1
InChIInChI=1S/C13H10ClN3S/c14-10-3-1-9(2-4-10)7-15-12-11-5-6-18-13(11)17-8-16-12/h1-6,8H,7H2,(H,15,16,17)
InChIKeyJVALUGJIYJSMDJ-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 2475079) is N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is Clc1ccc(CNc2ncnc3sccc23)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JVALUGJIYJSMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S/c14-10-3-1-9(2-4-10)7-15-12-11-5-6-18-13(11)17-8-16-12/h1-6,8H,7H2,(H,15,16,17).
What are the key properties of N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 275.76 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2475079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).