6-cyclohexylsulfanyl-N,2-diethylpyrimidin-4-amine

C14H23N3S — CID 80937260

IUPAC6-cyclohexylsulfanyl-N,2-diethylpyrimidin-4-amine
SMILESCCNc1cc(SC2CCCCC2)nc(CC)n1
InChIInChI=1S/C14H23N3S/c1-3-12-16-13(15-4-2)10-14(17-12)18-11-8-6-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyBOFHXRUHEIOAAT-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.90
Rot. Bonds5

About 6-cyclohexylsulfanyl-N,2-diethylpyrimidin-4-amine

6-cyclohexylsulfanyl-N,2-diethylpyrimidin-4-amine (PubChem CID 80937260) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 6-cyclohexylsulfanyl-N,2-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclohexylsulfanyl-N,2-diethylpyrimidin-4-amine
PubChem CID80937260
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name6-cyclohexylsulfanyl-N,2-diethylpyrimidin-4-amine
SMILESCCNc1cc(SC2CCCCC2)nc(CC)n1
InChIInChI=1S/C14H23N3S/c1-3-12-16-13(15-4-2)10-14(17-12)18-11-8-6-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyBOFHXRUHEIOAAT-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclohexylsulfanyl-N-methyl-2-propylpyrimidin-4-amine
CID 80947316
6-cyclohexylsulfanyl-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720274
4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933432
4-chloro-6-cyclohexylsulfanyl-2-propylpyrimidine
CID 80946529
6-cyclopentylsulfanyl-2-propylpyrimidin-4-amine
CID 80946943
2-cyclopropyl-N-ethyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
CID 80965162
4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80933363
6-N,2-diethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80934388
2-(cyclohexylsulfanylmethyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 65144656
2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
CID 102640092
N,2-diethyl-6-(2-methylcyclohexyl)oxypyrimidin-4-amine
CID 80941836
6-cyclopentylsulfanyl-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720339

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexylsulfanyl-N,2-diethylpyrimidin-4-amine?
The IUPAC name of 6-cyclohexylsulfanyl-N,2-diethylpyrimidin-4-amine (CID 80937260) is 6-cyclohexylsulfanyl-N,2-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclohexylsulfanyl-N,2-diethylpyrimidin-4-amine?
The canonical SMILES for 6-cyclohexylsulfanyl-N,2-diethylpyrimidin-4-amine is CCNc1cc(SC2CCCCC2)nc(CC)n1.
What is the InChIKey of 6-cyclohexylsulfanyl-N,2-diethylpyrimidin-4-amine?
The InChIKey is BOFHXRUHEIOAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-3-12-16-13(15-4-2)10-14(17-12)18-11-8-6-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 6-cyclohexylsulfanyl-N,2-diethylpyrimidin-4-amine?
6-cyclohexylsulfanyl-N,2-diethylpyrimidin-4-amine has a molecular weight of 265.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylsulfanyl-N,2-diethylpyrimidin-4-amine is sourced from PubChem (CID 80937260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).