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

C14H18F3N3O — CID 106773587

IUPACN-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(OCC2CC=CCC2C)nc(C(F)(F)F)n1
InChIInChI=1S/C14H18F3N3O/c1-9-5-3-4-6-10(9)8-21-12-7-11(18-2)19-13(20-12)14(15,16)17/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,18,19,20)
InChIKeyKEYJDIBKTPWPQP-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.52
Rot. Bonds4

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

N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106773587) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106773587
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC NameN-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(OCC2CC=CCC2C)nc(C(F)(F)F)n1
InChIInChI=1S/C14H18F3N3O/c1-9-5-3-4-6-10(9)8-21-12-7-11(18-2)19-13(20-12)14(15,16)17/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,18,19,20)
InChIKeyKEYJDIBKTPWPQP-UHFFFAOYSA-N
XLogP3.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.52
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 N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106773587) is N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(OCC2CC=CCC2C)nc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is KEYJDIBKTPWPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-9-5-3-4-6-10(9)8-21-12-7-11(18-2)19-13(20-12)14(15,16)17/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,18,19,20).
What are the key properties of N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 301.31 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106773587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).