N-ethyl-6-(3-methylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine

C14H23N3OS — CID 80860868

IUPACN-ethyl-6-(3-methylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(OC2CCCC(C)C2)nc(SC)n1
InChIInChI=1S/C14H23N3OS/c1-4-15-12-9-13(17-14(16-12)19-3)18-11-7-5-6-10(2)8-11/h9-11H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyFBPJATMDRZOFLJ-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.59
Rot. Bonds5

About N-ethyl-6-(3-methylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine

N-ethyl-6-(3-methylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80860868) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-ethyl-6-(3-methylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-methylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine
PubChem CID80860868
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-ethyl-6-(3-methylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(OC2CCCC(C)C2)nc(SC)n1
InChIInChI=1S/C14H23N3OS/c1-4-15-12-9-13(17-14(16-12)19-3)18-11-7-5-6-10(2)8-11/h9-11H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyFBPJATMDRZOFLJ-UHFFFAOYSA-N
XLogP3.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclohexyloxy-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80858375
6-(3-methylcyclohexyl)oxy-N,2-dipropylpyrimidin-4-amine
CID 80943941
[6-(3-ethylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80922204
6-N-ethyl-4-N-methyl-4-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80809346
4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826222
6-cyclobutyloxy-N-ethylpyrimidin-4-amine
CID 80873769
6-cycloheptyloxy-4-N-ethylpyrimidine-2,4-diamine
CID 80870965
4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80840347
6-cyclohexyloxy-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965359
6-cyclobutyloxy-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774446
2-tert-butyl-N-methyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine
CID 80965644
6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80817326

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-methylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(3-methylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine (CID 80860868) is N-ethyl-6-(3-methylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(3-methylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(3-methylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine is CCNc1cc(OC2CCCC(C)C2)nc(SC)n1.
What is the InChIKey of N-ethyl-6-(3-methylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is FBPJATMDRZOFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-4-15-12-9-13(17-14(16-12)19-3)18-11-7-5-6-10(2)8-11/h9-11H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of N-ethyl-6-(3-methylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine?
N-ethyl-6-(3-methylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 281.42 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-methylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80860868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).