6-chloro-N-[(3,4-dichlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine

C17H10Cl3N5S — CID 18459933

IUPAC6-chloro-N-[(3,4-dichlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESClc1cc2c(NCc3ccc(Cl)c(Cl)c3)nc(-c3cnccn3)nc2s1
InChIInChI=1S/C17H10Cl3N5S/c18-11-2-1-9(5-12(11)19)7-23-15-10-6-14(20)26-17(10)25-16(24-15)13-8-21-3-4-22-13/h1-6,8H,7H2,(H,23,24,25)
InChIKeyFZAVPIDGYBGOFV-UHFFFAOYSA-N
MW422.73 g/mol
LogP5.72
Rot. Bonds4

About 6-chloro-N-[(3,4-dichlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine

6-chloro-N-[(3,4-dichlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 18459933) has the molecular formula C17H10Cl3N5S and a molecular weight of 422.73 g/mol. Its IUPAC name is 6-chloro-N-[(3,4-dichlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(3,4-dichlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID18459933
Molecular FormulaC17H10Cl3N5S
Molecular Weight422.73 g/mol
Exact Mass420.97
IUPAC Name6-chloro-N-[(3,4-dichlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESClc1cc2c(NCc3ccc(Cl)c(Cl)c3)nc(-c3cnccn3)nc2s1
InChIInChI=1S/C17H10Cl3N5S/c18-11-2-1-9(5-12(11)19)7-23-15-10-6-14(20)26-17(10)25-16(24-15)13-8-21-3-4-22-13/h1-6,8H,7H2,(H,23,24,25)
InChIKeyFZAVPIDGYBGOFV-UHFFFAOYSA-N
XLogP5.72
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.73
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-N-[(3,4-dichlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3,4-dichlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(3,4-dichlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 18459933) is 6-chloro-N-[(3,4-dichlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(3,4-dichlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(3,4-dichlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine is Clc1cc2c(NCc3ccc(Cl)c(Cl)c3)nc(-c3cnccn3)nc2s1.
What is the InChIKey of 6-chloro-N-[(3,4-dichlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FZAVPIDGYBGOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl3N5S/c18-11-2-1-9(5-12(11)19)7-23-15-10-6-14(20)26-17(10)25-16(24-15)13-8-21-3-4-22-13/h1-6,8H,7H2,(H,23,24,25).
What are the key properties of 6-chloro-N-[(3,4-dichlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine?
6-chloro-N-[(3,4-dichlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 422.73 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3,4-dichlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18459933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).