5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine

C13H22N4S — CID 67568333

IUPAC5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine
SMILESCCSc1nc(N)c(CC2CCCCC2)c(N)n1
InChIInChI=1S/C13H22N4S/c1-2-18-13-16-11(14)10(12(15)17-13)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H4,14,15,16,17)
InChIKeyVEIRWRKXSIYBAS-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.88
Rot. Bonds4

About 5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine

5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine (PubChem CID 67568333) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine
PubChem CID67568333
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine
SMILESCCSc1nc(N)c(CC2CCCCC2)c(N)n1
InChIInChI=1S/C13H22N4S/c1-2-18-13-16-11(14)10(12(15)17-13)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H4,14,15,16,17)
InChIKeyVEIRWRKXSIYBAS-UHFFFAOYSA-N
XLogP2.88
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-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 5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine (CID 67568333) is 5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine is CCSc1nc(N)c(CC2CCCCC2)c(N)n1.
What is the InChIKey of 5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine?
The InChIKey is VEIRWRKXSIYBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-2-18-13-16-11(14)10(12(15)17-13)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H4,14,15,16,17).
What are the key properties of 5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine?
5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine has a molecular weight of 266.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 67568333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).