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

C14H12ClN3S — CID 2808613

IUPACN-[2-(4-chlorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESClc1ccc(CCNc2ncnc3sccc23)cc1
InChIInChI=1S/C14H12ClN3S/c15-11-3-1-10(2-4-11)5-7-16-13-12-6-8-19-14(12)18-9-17-13/h1-4,6,8-9H,5,7H2,(H,16,17,18)
InChIKeyHBWGSCWAYXGITP-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.00
Rot. Bonds4

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

N-[2-(4-chlorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2808613) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID2808613
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC NameN-[2-(4-chlorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESClc1ccc(CCNc2ncnc3sccc23)cc1
InChIInChI=1S/C14H12ClN3S/c15-11-3-1-10(2-4-11)5-7-16-13-12-6-8-19-14(12)18-9-17-13/h1-4,6,8-9H,5,7H2,(H,16,17,18)
InChIKeyHBWGSCWAYXGITP-UHFFFAOYSA-N
XLogP4.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 2808613) is N-[2-(4-chlorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is Clc1ccc(CCNc2ncnc3sccc23)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HBWGSCWAYXGITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c15-11-3-1-10(2-4-11)5-7-16-13-12-6-8-19-14(12)18-9-17-13/h1-4,6,8-9H,5,7H2,(H,16,17,18).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
N-[2-(4-chlorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 289.79 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2808613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).