5-chloro-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine

C10H17ClN4S — CID 112667834

IUPAC5-chloro-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine
SMILESCCC(CSC)N(C)c1nc(N)ncc1Cl
InChIInChI=1S/C10H17ClN4S/c1-4-7(6-16-3)15(2)9-8(11)5-13-10(12)14-9/h5,7H,4,6H2,1-3H3,(H2,12,13,14)
InChIKeyAPCHNYWQHPATFJ-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.29
Rot. Bonds5

About 5-chloro-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine

5-chloro-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine (PubChem CID 112667834) has the molecular formula C10H17ClN4S and a molecular weight of 260.79 g/mol. Its IUPAC name is 5-chloro-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine
PubChem CID112667834
Molecular FormulaC10H17ClN4S
Molecular Weight260.79 g/mol
Exact Mass260.09
IUPAC Name5-chloro-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine
SMILESCCC(CSC)N(C)c1nc(N)ncc1Cl
InChIInChI=1S/C10H17ClN4S/c1-4-7(6-16-3)15(2)9-8(11)5-13-10(12)14-9/h5,7H,4,6H2,1-3H3,(H2,12,13,14)
InChIKeyAPCHNYWQHPATFJ-UHFFFAOYSA-N
XLogP2.29
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-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 5-chloro-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine (CID 112667834) is 5-chloro-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine is CCC(CSC)N(C)c1nc(N)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is APCHNYWQHPATFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4S/c1-4-7(6-16-3)15(2)9-8(11)5-13-10(12)14-9/h5,7H,4,6H2,1-3H3,(H2,12,13,14).
What are the key properties of 5-chloro-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine?
5-chloro-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 260.79 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112667834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).