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

C12H11F3N4O2 — CID 138755794

IUPAC4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(Nc2ncccc2C(F)(F)F)n1
InChIInChI=1S/C12H11F3N4O2/c1-20-8-6-9(21-2)18-11(17-8)19-10-7(12(13,14)15)4-3-5-16-10/h3-6H,1-2H3,(H,16,17,18,19)
InChIKeyFOHUVEQSVOMUOO-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.65
Rot. Bonds4

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

4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 138755794) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine
PubChem CID138755794
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(Nc2ncccc2C(F)(F)F)n1
InChIInChI=1S/C12H11F3N4O2/c1-20-8-6-9(21-2)18-11(17-8)19-10-7(12(13,14)15)4-3-5-16-10/h3-6H,1-2H3,(H,16,17,18,19)
InChIKeyFOHUVEQSVOMUOO-UHFFFAOYSA-N
XLogP2.65
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Flazasulfuron
CID 93539
N-(4,6-Dimethoxy-2-pyrimidinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]urea
CID 137700577
4-Methoxy-2-[(3-pyridinylmethyl)amino]nicotinonitrile
CID 1487431
Phenyl(4-pyridinyl)methanone (4,6-dimethoxy-2-pyrimidinyl)hydrazone
CID 6383510
N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-6-methoxypyrimidin-4-amine
CID 51050005
US9205085, Msx-200
CID 58757230
US10266549, Example 229
CID 118905630
2-(3-Fluorophenyl)-4-methoxypyrimidine
CID 58166154
Pyrimidine, 2,4-diamino-5-((2,6-dimethoxy-4-pyridyl)methyl)-
CID 3050136
4-Methoxy-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile
CID 14022911
N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrimidin-4-amine
CID 172437024
N-propan-2-yl-6-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine
CID 172437187

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine (CID 138755794) is 4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine is COc1cc(OC)nc(Nc2ncccc2C(F)(F)F)n1.
What is the InChIKey of 4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is FOHUVEQSVOMUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-20-8-6-9(21-2)18-11(17-8)19-10-7(12(13,14)15)4-3-5-16-10/h3-6H,1-2H3,(H,16,17,18,19).
What are the key properties of 4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine?
4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 300.24 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 138755794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).