4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine

C13H11F4N3O — CID 114563487

IUPAC4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(-c2cccc(OC)c2F)cc(C(F)(F)F)n1
InChIInChI=1S/C13H11F4N3O/c1-18-12-19-8(6-10(20-12)13(15,16)17)7-4-3-5-9(21-2)11(7)14/h3-6H,1-2H3,(H,18,19,20)
InChIKeyIDFNHWBRVRONAK-UHFFFAOYSA-N
MW301.24 g/mol
LogP3.35
Rot. Bonds3

About 4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine

4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114563487) has the molecular formula C13H11F4N3O and a molecular weight of 301.24 g/mol. Its IUPAC name is 4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114563487
Molecular FormulaC13H11F4N3O
Molecular Weight301.24 g/mol
Exact Mass301.08
IUPAC Name4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(-c2cccc(OC)c2F)cc(C(F)(F)F)n1
InChIInChI=1S/C13H11F4N3O/c1-18-12-19-8(6-10(20-12)13(15,16)17)7-4-3-5-9(21-2)11(7)14/h3-6H,1-2H3,(H,18,19,20)
InChIKeyIDFNHWBRVRONAK-UHFFFAOYSA-N
XLogP3.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563172
6-(2-fluoro-3-methoxyphenyl)-N-methylpyridin-2-amine
CID 82812009
4-ethoxy-6-(2-fluoro-3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine
CID 82812014
N-cyclopentyl-4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 4603788
4-(2,6-difluoro-3-methylphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563489
4-chloro-6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidine
CID 82812450
4-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563356
6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 82811355
4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563203
N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 124856131
6-(2-fluoro-3-methoxyphenyl)-8-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 139395999
N-methyl-4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563377

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114563487) is 4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is CNc1nc(-c2cccc(OC)c2F)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is IDFNHWBRVRONAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N3O/c1-18-12-19-8(6-10(20-12)13(15,16)17)7-4-3-5-9(21-2)11(7)14/h3-6H,1-2H3,(H,18,19,20).
What are the key properties of 4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 301.24 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114563487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).