6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine

C13H16F3N3O — CID 106773588

IUPAC6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1CC=CCC1COc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C13H16F3N3O/c1-8-4-2-3-5-9(8)7-20-11-6-10(17)18-12(19-11)13(14,15)16/h2-3,6,8-9H,4-5,7H2,1H3,(H2,17,18,19)
InChIKeyOJQGVDVEUMQJMM-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.06
Rot. Bonds3

About 6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine

6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106773588) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106773588
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1CC=CCC1COc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C13H16F3N3O/c1-8-4-2-3-5-9(8)7-20-11-6-10(17)18-12(19-11)13(14,15)16/h2-3,6,8-9H,4-5,7H2,1H3,(H2,17,18,19)
InChIKeyOJQGVDVEUMQJMM-UHFFFAOYSA-N
XLogP3.06
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106773588) is 6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine is CC1CC=CCC1COc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is OJQGVDVEUMQJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-8-4-2-3-5-9(8)7-20-11-6-10(17)18-12(19-11)13(14,15)16/h2-3,6,8-9H,4-5,7H2,1H3,(H2,17,18,19).
What are the key properties of 6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 287.29 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106773588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).