6-chloro-4-N-(3-propylcyclopentyl)-2-propylsulfanylpyrimidine-4,5-diamine

C15H25ClN4S — CID 166876327

IUPAC6-chloro-4-N-(3-propylcyclopentyl)-2-propylsulfanylpyrimidine-4,5-diamine
SMILESCCCSc1nc(Cl)c(N)c(NC2CCC(CCC)C2)n1
InChIInChI=1S/C15H25ClN4S/c1-3-5-10-6-7-11(9-10)18-14-12(17)13(16)19-15(20-14)21-8-4-2/h10-11H,3-9,17H2,1-2H3,(H,18,19,20)
InChIKeyHNUANZBVPGGIQU-UHFFFAOYSA-N
MW328.91 g/mol
LogP4.59
Rot. Bonds7

About 6-chloro-4-N-(3-propylcyclopentyl)-2-propylsulfanylpyrimidine-4,5-diamine

6-chloro-4-N-(3-propylcyclopentyl)-2-propylsulfanylpyrimidine-4,5-diamine (PubChem CID 166876327) has the molecular formula C15H25ClN4S and a molecular weight of 328.91 g/mol. Its IUPAC name is 6-chloro-4-N-(3-propylcyclopentyl)-2-propylsulfanylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(3-propylcyclopentyl)-2-propylsulfanylpyrimidine-4,5-diamine
PubChem CID166876327
Molecular FormulaC15H25ClN4S
Molecular Weight328.91 g/mol
Exact Mass328.15
IUPAC Name6-chloro-4-N-(3-propylcyclopentyl)-2-propylsulfanylpyrimidine-4,5-diamine
SMILESCCCSc1nc(Cl)c(N)c(NC2CCC(CCC)C2)n1
InChIInChI=1S/C15H25ClN4S/c1-3-5-10-6-7-11(9-10)18-14-12(17)13(16)19-15(20-14)21-8-4-2/h10-11H,3-9,17H2,1-2H3,(H,18,19,20)
InChIKeyHNUANZBVPGGIQU-UHFFFAOYSA-N
XLogP4.59
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-N-(3-propylcyclopentyl)-2-propylsulfanylpyrimidine-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-chloro-4-N-(3-propylcyclopentyl)-2-propylsulfanylpyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(3-propylcyclopentyl)-2-propylsulfanylpyrimidine-4,5-diamine (CID 166876327) is 6-chloro-4-N-(3-propylcyclopentyl)-2-propylsulfanylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(3-propylcyclopentyl)-2-propylsulfanylpyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(3-propylcyclopentyl)-2-propylsulfanylpyrimidine-4,5-diamine is CCCSc1nc(Cl)c(N)c(NC2CCC(CCC)C2)n1.
What is the InChIKey of 6-chloro-4-N-(3-propylcyclopentyl)-2-propylsulfanylpyrimidine-4,5-diamine?
The InChIKey is HNUANZBVPGGIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4S/c1-3-5-10-6-7-11(9-10)18-14-12(17)13(16)19-15(20-14)21-8-4-2/h10-11H,3-9,17H2,1-2H3,(H,18,19,20).
What are the key properties of 6-chloro-4-N-(3-propylcyclopentyl)-2-propylsulfanylpyrimidine-4,5-diamine?
6-chloro-4-N-(3-propylcyclopentyl)-2-propylsulfanylpyrimidine-4,5-diamine has a molecular weight of 328.91 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(3-propylcyclopentyl)-2-propylsulfanylpyrimidine-4,5-diamine is sourced from PubChem (CID 166876327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).