N-(4-tert-butylcyclohexyl)-6-ethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidin-4-amine

C18H26F5N3 — CID 22097428

IUPACN-(4-tert-butylcyclohexyl)-6-ethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidin-4-amine
SMILESCCc1ncnc(NC2CCC(C(C)(C)C)CC2)c1C(F)(F)C(F)(F)F
InChIInChI=1S/C18H26F5N3/c1-5-13-14(17(19,20)18(21,22)23)15(25-10-24-13)26-12-8-6-11(7-9-12)16(2,3)4/h10-12H,5-9H2,1-4H3,(H,24,25,26)
InChIKeyGBZCVLCLKUARED-UHFFFAOYSA-N
MW379.42 g/mol
LogP5.71
Rot. Bonds4

About N-(4-tert-butylcyclohexyl)-6-ethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidin-4-amine

N-(4-tert-butylcyclohexyl)-6-ethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidin-4-amine (PubChem CID 22097428) has the molecular formula C18H26F5N3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-6-ethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-6-ethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidin-4-amine
PubChem CID22097428
Molecular FormulaC18H26F5N3
Molecular Weight379.42 g/mol
Exact Mass379.20
IUPAC NameN-(4-tert-butylcyclohexyl)-6-ethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidin-4-amine
SMILESCCc1ncnc(NC2CCC(C(C)(C)C)CC2)c1C(F)(F)C(F)(F)F
InChIInChI=1S/C18H26F5N3/c1-5-13-14(17(19,20)18(21,22)23)15(25-10-24-13)26-12-8-6-11(7-9-12)16(2,3)4/h10-12H,5-9H2,1-4H3,(H,24,25,26)
InChIKeyGBZCVLCLKUARED-UHFFFAOYSA-N
XLogP5.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-(4-tert-butylcyclohexyl)-6-ethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidin-4-amine with MolForge

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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
N-methyl-5,6-di(propan-2-yl)pyrimidin-4-amine
CID 65440079
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
4-(cis-4-tert-Butylcyclohexylamino)-6-ethyl-5-trifluoromethylpyrimidine
CID 15334552
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
4-(cis-4-tert-Butylcyclohexylamino)-6-methyl-5-(2-fluoroethyl)pyrimidine
CID 22097418

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-6-ethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidin-4-amine?
The IUPAC name of N-(4-tert-butylcyclohexyl)-6-ethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidin-4-amine (CID 22097428) is N-(4-tert-butylcyclohexyl)-6-ethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-6-ethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidin-4-amine?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-6-ethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidin-4-amine is CCc1ncnc(NC2CCC(C(C)(C)C)CC2)c1C(F)(F)C(F)(F)F.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-6-ethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidin-4-amine?
The InChIKey is GBZCVLCLKUARED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F5N3/c1-5-13-14(17(19,20)18(21,22)23)15(25-10-24-13)26-12-8-6-11(7-9-12)16(2,3)4/h10-12H,5-9H2,1-4H3,(H,24,25,26).
What are the key properties of N-(4-tert-butylcyclohexyl)-6-ethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidin-4-amine?
N-(4-tert-butylcyclohexyl)-6-ethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidin-4-amine has a molecular weight of 379.42 g/mol, XLogP of 5.71, 4 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-(1,1,2,2,2-pentafluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 22097428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).