6-cyclohexyloxy-N-ethyl-2-methylsulfanylpyrimidin-4-amine

C13H21N3OS — CID 80858375

IUPAC6-cyclohexyloxy-N-ethyl-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(OC2CCCCC2)nc(SC)n1
InChIInChI=1S/C13H21N3OS/c1-3-14-11-9-12(16-13(15-11)18-2)17-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyVSKDMZYPMHJVMB-UHFFFAOYSA-N
MW267.40 g/mol
LogP3.34
Rot. Bonds5

About 6-cyclohexyloxy-N-ethyl-2-methylsulfanylpyrimidin-4-amine

6-cyclohexyloxy-N-ethyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80858375) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 6-cyclohexyloxy-N-ethyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclohexyloxy-N-ethyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80858375
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name6-cyclohexyloxy-N-ethyl-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(OC2CCCCC2)nc(SC)n1
InChIInChI=1S/C13H21N3OS/c1-3-14-11-9-12(16-13(15-11)18-2)17-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyVSKDMZYPMHJVMB-UHFFFAOYSA-N
XLogP3.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-(3-methylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine
CID 80860868
6-cyclohexyloxy-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965359
6-cycloheptyloxy-4-N-ethylpyrimidine-2,4-diamine
CID 80870965
4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826222
[6-(3-ethylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80922204
6-cyclobutyloxy-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774446
N-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine
CID 80865847
6-cyclobutyloxy-N-ethylpyrimidin-4-amine
CID 80873769
6-(2,2-difluoroethoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 82010545
N-ethyl-6-(2-methylpropoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80860112
6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80817326
N-ethyl-2-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine
CID 80873426

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyloxy-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-cyclohexyloxy-N-ethyl-2-methylsulfanylpyrimidin-4-amine (CID 80858375) is 6-cyclohexyloxy-N-ethyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclohexyloxy-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-cyclohexyloxy-N-ethyl-2-methylsulfanylpyrimidin-4-amine is CCNc1cc(OC2CCCCC2)nc(SC)n1.
What is the InChIKey of 6-cyclohexyloxy-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is VSKDMZYPMHJVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-3-14-11-9-12(16-13(15-11)18-2)17-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 6-cyclohexyloxy-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
6-cyclohexyloxy-N-ethyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 267.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyloxy-N-ethyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80858375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).