6-(2-methoxyphenyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

C13H12F3N3O — CID 106769157

IUPAC6-(2-methoxyphenyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(-c2ccccc2OC)nc(C(F)(F)F)n1
InChIInChI=1S/C13H12F3N3O/c1-17-11-7-9(18-12(19-11)13(14,15)16)8-5-3-4-6-10(8)20-2/h3-7H,1-2H3,(H,17,18,19)
InChIKeyLXPDHPBNFYKXNA-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.21
Rot. Bonds3

About 6-(2-methoxyphenyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(2-methoxyphenyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106769157) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106769157
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name6-(2-methoxyphenyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(-c2ccccc2OC)nc(C(F)(F)F)n1
InChIInChI=1S/C13H12F3N3O/c1-17-11-7-9(18-12(19-11)13(14,15)16)8-5-3-4-6-10(8)20-2/h3-7H,1-2H3,(H,17,18,19)
InChIKeyLXPDHPBNFYKXNA-UHFFFAOYSA-N
XLogP3.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methoxy-5-methylphenyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769427
6-tert-butyl-2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 62192683
N-methyl-6-phenylmethoxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773682
4-N-(2-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770018
4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563487
2-tert-butyl-4-N-(2-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80956487
N-cyclopentyl-4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 4603788
4-chloro-6-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)pyrimidine
CID 106768889
3-chloro-5-(2-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1472840
6-(3-methoxyphenyl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775008
6-(5-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189267
N-tert-butyl-6-(2-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 5330923

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyphenyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106769157) is 6-(2-methoxyphenyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyphenyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyphenyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(-c2ccccc2OC)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(2-methoxyphenyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is LXPDHPBNFYKXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-17-11-7-9(18-12(19-11)13(14,15)16)8-5-3-4-6-10(8)20-2/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of 6-(2-methoxyphenyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(2-methoxyphenyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 283.25 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106769157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).