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

C17H26F3N3 — CID 15334552

IUPACN-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCCc1ncnc(NC2CCC(C(C)(C)C)CC2)c1C(F)(F)F
InChIInChI=1S/C17H26F3N3/c1-5-13-14(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)
InChIKeyFTIUGGCLOAEUHS-UHFFFAOYSA-N
MW329.41 g/mol
LogP5.07
Rot. Bonds3

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

N-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 15334552) has the molecular formula C17H26F3N3 and a molecular weight of 329.41 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID15334552
Molecular FormulaC17H26F3N3
Molecular Weight329.41 g/mol
Exact Mass329.21
IUPAC NameN-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCCc1ncnc(NC2CCC(C(C)(C)C)CC2)c1C(F)(F)F
InChIInChI=1S/C17H26F3N3/c1-5-13-14(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)
InChIKeyFTIUGGCLOAEUHS-UHFFFAOYSA-N
XLogP5.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.41
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-butyl-6-methyl-5-pentylpyrimidine-2,4-diamine
CID 135271007
4-N-butyl-5-(3-cyclohexylpropyl)-6-methylpyrimidine-2,4-diamine
CID 135271021
2,4-Pyrimidinediamine, 5-hexyl-6-methyl-N,N'-dioctyl-
CID 5276773
N4-[3-(diethylamino)propyl]-5-hexyl-6-methyl-N2-octyl-pyrimidine-2,4-diamine
CID 5276776
N-methyl-5,6-di(propan-2-yl)pyrimidin-4-amine
CID 65440079
6-ethyl-5-fluoro-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]pyrimidin-4-amine
CID 132421266
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 164637542
4-(cis-4-Tert-butylcyclohexylamino)-6-ethyl-5-fluoropyrimidine
CID 11185082
N-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethylsulfanyl)pyrimidin-4-amine
CID 15334553
5-chloro-6-ethyl-N-[4-(1,2,2-trifluoroethyl)cyclohexyl]pyrimidin-4-amine
CID 20640258
5-chloro-N-[4-(1,3-difluoropropan-2-yl)cyclohexyl]-6-ethylpyrimidin-4-amine
CID 21252692
5-chloro-N-[4-(3,3-difluoropropyl)cyclohexyl]-6-ethylpyrimidin-4-amine
CID 21252708

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethyl)pyrimidin-4-amine (CID 15334552) is N-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethyl)pyrimidin-4-amine is CCc1ncnc(NC2CCC(C(C)(C)C)CC2)c1C(F)(F)F.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is FTIUGGCLOAEUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N3/c1-5-13-14(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-(trifluoromethyl)pyrimidin-4-amine?
N-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 329.41 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-6-ethyl-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 15334552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).