6-(4-chlorophenyl)sulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine

C17H22ClN5S — CID 19136549

IUPAC6-(4-chlorophenyl)sulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine
SMILESNc1c(NCCN2CCCCC2)ncnc1Sc1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN5S/c18-13-4-6-14(7-5-13)24-17-15(19)16(21-12-22-17)20-8-11-23-9-2-1-3-10-23/h4-7,12H,1-3,8-11,19H2,(H,20,21,22)
InChIKeyAWALXWYIENSZCY-UHFFFAOYSA-N
MW363.92 g/mol
LogP3.76
Rot. Bonds6

About 6-(4-chlorophenyl)sulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine

6-(4-chlorophenyl)sulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine (PubChem CID 19136549) has the molecular formula C17H22ClN5S and a molecular weight of 363.92 g/mol. Its IUPAC name is 6-(4-chlorophenyl)sulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-chlorophenyl)sulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine
PubChem CID19136549
Molecular FormulaC17H22ClN5S
Molecular Weight363.92 g/mol
Exact Mass363.13
IUPAC Name6-(4-chlorophenyl)sulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine
SMILESNc1c(NCCN2CCCCC2)ncnc1Sc1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN5S/c18-13-4-6-14(7-5-13)24-17-15(19)16(21-12-22-17)20-8-11-23-9-2-1-3-10-23/h4-7,12H,1-3,8-11,19H2,(H,20,21,22)
InChIKeyAWALXWYIENSZCY-UHFFFAOYSA-N
XLogP3.76
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.92
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(4-chlorophenyl)sulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine 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-(4-chlorophenyl)sulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-chlorophenyl)sulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine (CID 19136549) is 6-(4-chlorophenyl)sulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-chlorophenyl)sulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-chlorophenyl)sulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine is Nc1c(NCCN2CCCCC2)ncnc1Sc1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)sulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine?
The InChIKey is AWALXWYIENSZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5S/c18-13-4-6-14(7-5-13)24-17-15(19)16(21-12-22-17)20-8-11-23-9-2-1-3-10-23/h4-7,12H,1-3,8-11,19H2,(H,20,21,22).
What are the key properties of 6-(4-chlorophenyl)sulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine?
6-(4-chlorophenyl)sulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine has a molecular weight of 363.92 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)sulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19136549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).