N-ethyl-4,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine

C15H16F3N3O — CID 4111851

IUPACN-ethyl-4,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
SMILESCCN(c1ccc(OC(F)(F)F)cc1)c1nc(C)cc(C)n1
InChIInChI=1S/C15H16F3N3O/c1-4-21(14-19-10(2)9-11(3)20-14)12-5-7-13(8-6-12)22-15(16,17)18/h5-9H,4H2,1-3H3
InChIKeyQCOXCSLYOYQUTI-UHFFFAOYSA-N
MW311.31 g/mol
LogP4.15
Rot. Bonds4

About N-ethyl-4,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine

N-ethyl-4,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine (PubChem CID 4111851) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is N-ethyl-4,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
PubChem CID4111851
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC NameN-ethyl-4,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
SMILESCCN(c1ccc(OC(F)(F)F)cc1)c1nc(C)cc(C)n1
InChIInChI=1S/C15H16F3N3O/c1-4-21(14-19-10(2)9-11(3)20-14)12-5-7-13(8-6-12)22-15(16,17)18/h5-9H,4H2,1-3H3
InChIKeyQCOXCSLYOYQUTI-UHFFFAOYSA-N
XLogP4.15
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide
CID 3590115
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 91967663
4-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 43557805
5-(2,2-diethoxyethoxy)-N,4,6-trimethyl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 135122848
4-[N-(5-ethylpyrimidin-2-yl)-4-(trifluoromethoxy)anilino]butanal
CID 58970299
N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(trifluoromethoxy)benzamide
CID 121427025
2-[4-(trifluoromethoxy)phenyl]-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78884857
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
N-chloro-N-[4-(trifluoromethoxy)phenyl]hydroxylamine
CID 145273685
2-chloro-6-methyl-4-(trifluoromethoxy)pyridine
CID 130089695
4-(aminomethyl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 107541694
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine (CID 4111851) is N-ethyl-4,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine is CCN(c1ccc(OC(F)(F)F)cc1)c1nc(C)cc(C)n1.
What is the InChIKey of N-ethyl-4,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
The InChIKey is QCOXCSLYOYQUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-4-21(14-19-10(2)9-11(3)20-14)12-5-7-13(8-6-12)22-15(16,17)18/h5-9H,4H2,1-3H3.
What are the key properties of N-ethyl-4,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
N-ethyl-4,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine has a molecular weight of 311.31 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 4111851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).