4-N-(3,5-dimethylcyclohexyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

C14H24N4S — CID 80841108

IUPAC4-N-(3,5-dimethylcyclohexyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(NC2CC(C)CC(C)C2)nc(SC)n1
InChIInChI=1S/C14H24N4S/c1-9-5-10(2)7-11(6-9)16-13-8-12(15-3)17-14(18-13)19-4/h8-11H,5-7H2,1-4H3,(H2,15,16,17,18)
InChIKeyFKXWLNVFDQETQS-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.48
Rot. Bonds4

About 4-N-(3,5-dimethylcyclohexyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

4-N-(3,5-dimethylcyclohexyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80841108) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-N-(3,5-dimethylcyclohexyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylcyclohexyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80841108
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name4-N-(3,5-dimethylcyclohexyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(NC2CC(C)CC(C)C2)nc(SC)n1
InChIInChI=1S/C14H24N4S/c1-9-5-10(2)7-11(6-9)16-13-8-12(15-3)17-14(18-13)19-4/h8-11H,5-7H2,1-4H3,(H2,15,16,17,18)
InChIKeyFKXWLNVFDQETQS-UHFFFAOYSA-N
XLogP3.48
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylcyclohexyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,5-dimethylcyclohexyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (CID 80841108) is 4-N-(3,5-dimethylcyclohexyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylcyclohexyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,5-dimethylcyclohexyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is CNc1cc(NC2CC(C)CC(C)C2)nc(SC)n1.
What is the InChIKey of 4-N-(3,5-dimethylcyclohexyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is FKXWLNVFDQETQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-9-5-10(2)7-11(6-9)16-13-8-12(15-3)17-14(18-13)19-4/h8-11H,5-7H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-N-(3,5-dimethylcyclohexyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-(3,5-dimethylcyclohexyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 280.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylcyclohexyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80841108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).