N-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethylsulfanyl)pyrimidin-4-amine

C17H26F3N3S — CID 15334553

IUPACN-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethylsulfanyl)pyrimidin-4-amine
SMILESCCc1ncnc(NC2CCC(C(C)(C)C)CC2)c1SC(F)(F)F
InChIInChI=1S/C17H26F3N3S/c1-5-13-14(24-17(18,19)20)15(22-10-21-13)23-12-8-6-11(7-9-12)16(2,3)4/h10-12H,5-9H2,1-4H3,(H,21,22,23)
InChIKeyZNUXSFHJAIBSTK-UHFFFAOYSA-N
MW361.48 g/mol
LogP5.67
Rot. Bonds4

About N-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethylsulfanyl)pyrimidin-4-amine

N-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethylsulfanyl)pyrimidin-4-amine (PubChem CID 15334553) has the molecular formula C17H26F3N3S and a molecular weight of 361.48 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethylsulfanyl)pyrimidin-4-amine
PubChem CID15334553
Molecular FormulaC17H26F3N3S
Molecular Weight361.48 g/mol
Exact Mass361.18
IUPAC NameN-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethylsulfanyl)pyrimidin-4-amine
SMILESCCc1ncnc(NC2CCC(C(C)(C)C)CC2)c1SC(F)(F)F
InChIInChI=1S/C17H26F3N3S/c1-5-13-14(24-17(18,19)20)15(22-10-21-13)23-12-8-6-11(7-9-12)16(2,3)4/h10-12H,5-9H2,1-4H3,(H,21,22,23)
InChIKeyZNUXSFHJAIBSTK-UHFFFAOYSA-N
XLogP5.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.48
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethylsulfanyl)pyrimidin-4-amine?
The IUPAC name of N-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethylsulfanyl)pyrimidin-4-amine (CID 15334553) is N-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethylsulfanyl)pyrimidin-4-amine is CCc1ncnc(NC2CCC(C(C)(C)C)CC2)c1SC(F)(F)F.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethylsulfanyl)pyrimidin-4-amine?
The InChIKey is ZNUXSFHJAIBSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N3S/c1-5-13-14(24-17(18,19)20)15(22-10-21-13)23-12-8-6-11(7-9-12)16(2,3)4/h10-12H,5-9H2,1-4H3,(H,21,22,23).
What are the key properties of N-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethylsulfanyl)pyrimidin-4-amine?
N-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethylsulfanyl)pyrimidin-4-amine has a molecular weight of 361.48 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 15334553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).