4-N-(2-cyclohexylethyl)-2-methylsulfanylpyrimidine-4,6-diamine

C13H22N4S — CID 80790240

IUPAC4-N-(2-cyclohexylethyl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NCCC2CCCCC2)n1
InChIInChI=1S/C13H22N4S/c1-18-13-16-11(14)9-12(17-13)15-8-7-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H3,14,15,16,17)
InChIKeyQIFGPHZURFEJFC-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.16
Rot. Bonds5

About 4-N-(2-cyclohexylethyl)-2-methylsulfanylpyrimidine-4,6-diamine

4-N-(2-cyclohexylethyl)-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80790240) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-N-(2-cyclohexylethyl)-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-cyclohexylethyl)-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80790240
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name4-N-(2-cyclohexylethyl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NCCC2CCCCC2)n1
InChIInChI=1S/C13H22N4S/c1-18-13-16-11(14)9-12(17-13)15-8-7-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H3,14,15,16,17)
InChIKeyQIFGPHZURFEJFC-UHFFFAOYSA-N
XLogP3.16
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2-cyclohexylethyl)-2-methylsulfanylpyrimidine-4,6-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 4-N-(2-cyclohexylethyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-cyclohexylethyl)-2-methylsulfanylpyrimidine-4,6-diamine (CID 80790240) is 4-N-(2-cyclohexylethyl)-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-cyclohexylethyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-cyclohexylethyl)-2-methylsulfanylpyrimidine-4,6-diamine is CSc1nc(N)cc(NCCC2CCCCC2)n1.
What is the InChIKey of 4-N-(2-cyclohexylethyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is QIFGPHZURFEJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-18-13-16-11(14)9-12(17-13)15-8-7-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-(2-cyclohexylethyl)-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-(2-cyclohexylethyl)-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 266.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclohexylethyl)-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80790240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).