N,2-dimethyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine

C12H11F3N4 — CID 102709116

IUPACN,2-dimethyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
SMILESCNc1cc(-c2cnccc2C(F)(F)F)nc(C)n1
InChIInChI=1S/C12H11F3N4/c1-7-18-10(5-11(16-2)19-7)8-6-17-4-3-9(8)12(13,14)15/h3-6H,1-2H3,(H,16,18,19)
InChIKeyWNUVTAUXFXYMSF-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.91
Rot. Bonds2

About N,2-dimethyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine

N,2-dimethyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine (PubChem CID 102709116) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is N,2-dimethyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
PubChem CID102709116
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC NameN,2-dimethyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
SMILESCNc1cc(-c2cnccc2C(F)(F)F)nc(C)n1
InChIInChI=1S/C12H11F3N4/c1-7-18-10(5-11(16-2)19-7)8-6-17-4-3-9(8)12(13,14)15/h3-6H,1-2H3,(H,16,18,19)
InChIKeyWNUVTAUXFXYMSF-UHFFFAOYSA-N
XLogP2.91
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyridazine
CID 168913034
6-(3-fluoro-4-pyridinyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716896
2-ethyl-N-methyl-6-(4-methyl-3-pyridinyl)pyrimidin-4-amine
CID 80935966
N-methyl-4-(trifluoromethyl)pyridin-3-amine
CID 67229905
3-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine
CID 102824580
5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine
CID 102709103
N-[4-methyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]methanimine
CID 164557635
N-methyl-4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563377
[3-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine
CID 102708695
N-methyl-6-(4-methyl-3-pyridinyl)pyrazin-2-amine
CID 66274023
3-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyridazin-6-one
CID 106522536
2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine
CID 117075580

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine (CID 102709116) is N,2-dimethyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine is CNc1cc(-c2cnccc2C(F)(F)F)nc(C)n1.
What is the InChIKey of N,2-dimethyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
The InChIKey is WNUVTAUXFXYMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c1-7-18-10(5-11(16-2)19-7)8-6-17-4-3-9(8)12(13,14)15/h3-6H,1-2H3,(H,16,18,19).
What are the key properties of N,2-dimethyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
N,2-dimethyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine has a molecular weight of 268.24 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 102709116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).