N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine

C17H24F3N3 — CID 177059891

IUPACN-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESC=CC1(CN(CC)c2cc(C)nc(C(F)(F)F)n2)CCCCC1
InChIInChI=1S/C17H24F3N3/c1-4-16(9-7-6-8-10-16)12-23(5-2)14-11-13(3)21-15(22-14)17(18,19)20/h4,11H,1,5-10,12H2,2-3H3
InChIKeyBGMFYVIOJVTCKG-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.77
Rot. Bonds5

About N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine

N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 177059891) has the molecular formula C17H24F3N3 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID177059891
Molecular FormulaC17H24F3N3
Molecular Weight327.39 g/mol
Exact Mass327.19
IUPAC NameN-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESC=CC1(CN(CC)c2cc(C)nc(C(F)(F)F)n2)CCCCC1
InChIInChI=1S/C17H24F3N3/c1-4-16(9-7-6-8-10-16)12-23(5-2)14-11-13(3)21-15(22-14)17(18,19)20/h4,11H,1,5-10,12H2,2-3H3
InChIKeyBGMFYVIOJVTCKG-UHFFFAOYSA-N
XLogP4.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 177059891) is N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine is C=CC1(CN(CC)c2cc(C)nc(C(F)(F)F)n2)CCCCC1.
What is the InChIKey of N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is BGMFYVIOJVTCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3/c1-4-16(9-7-6-8-10-16)12-23(5-2)14-11-13(3)21-15(22-14)17(18,19)20/h4,11H,1,5-10,12H2,2-3H3.
What are the key properties of N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 327.39 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenylcyclohexyl)methyl]-N-ethyl-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 177059891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).