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

C15H26N4S — CID 80840347

IUPAC4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CC(C)CC(C)C2)nc(SC)n1
InChIInChI=1S/C15H26N4S/c1-5-16-13-9-14(19-15(18-13)20-4)17-12-7-10(2)6-11(3)8-12/h9-12H,5-8H2,1-4H3,(H2,16,17,18,19)
InChIKeyVIFWFEURPVQGCZ-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.87
Rot. Bonds5

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

4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80840347) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80840347
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CC(C)CC(C)C2)nc(SC)n1
InChIInChI=1S/C15H26N4S/c1-5-16-13-9-14(19-15(18-13)20-4)17-12-7-10(2)6-11(3)8-12/h9-12H,5-8H2,1-4H3,(H2,16,17,18,19)
InChIKeyVIFWFEURPVQGCZ-UHFFFAOYSA-N
XLogP3.87
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3,5-dimethylcyclohexyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80841108
4-N-(3,5-dimethylcyclohexyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80840975
4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826222
4-N-(3,4-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80841556
6-N-ethyl-2-(methoxymethyl)-4-N-(3-methylcyclobutyl)pyrimidine-4,6-diamine
CID 113467592
4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pyrrolidin-2-one
CID 114157084
6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80817326
N-ethyl-6-(3-methylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine
CID 80860868
4-N-(3-methylcyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 114541902
2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol
CID 80765964
6-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80826076
6-N-ethyl-4-N-methyl-4-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80809346

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine (CID 80840347) is 4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine is CCNc1cc(NC2CC(C)CC(C)C2)nc(SC)n1.
What is the InChIKey of 4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is VIFWFEURPVQGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-5-16-13-9-14(19-15(18-13)20-4)17-12-7-10(2)6-11(3)8-12/h9-12H,5-8H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 294.47 g/mol, XLogP of 3.87, 5 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-ethyl-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80840347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).