4,6-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

C10H9F3N4 — CID 21030356

IUPAC4,6-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCc1cc(C)nc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C10H9F3N4/c1-6-5-7(2)15-9(14-6)17-4-3-8(16-17)10(11,12)13/h3-5H,1-2H3
InChIKeyXMJKMJZVVBAMNJ-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.30
Rot. Bonds1

About 4,6-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

4,6-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (PubChem CID 21030356) has the molecular formula C10H9F3N4 and a molecular weight of 242.20 g/mol. Its IUPAC name is 4,6-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
PubChem CID21030356
Molecular FormulaC10H9F3N4
Molecular Weight242.20 g/mol
Exact Mass242.08
IUPAC Name4,6-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCc1cc(C)nc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C10H9F3N4/c1-6-5-7(2)15-9(14-6)17-4-3-8(16-17)10(11,12)13/h3-5H,1-2H3
InChIKeyXMJKMJZVVBAMNJ-UHFFFAOYSA-N
XLogP2.30
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-Dimethyl(1,2,4)triazolo(1,5-a)pyrimidine
CID 24356
Pyrazolo(1,5-a)pyrimidine, 5,7-dimethyl-
CID 215186
5-amino-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazole-4-carbonitrile
CID 2317988
2-(3,5-Dimethyl-pyrazol-1-YL)-4,6-dimethyl-pyrimidine
CID 3401968
5-Methyl-s-triazolo(1,5-a)pyrimidine
CID 584230
3,5,7-trimethyl-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium
CID 3238460
2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-pyrimidinecarbonitrile
CID 2766549
2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 72945318
5,7-Dimethyl 3-fluoro pyrazolo[1,5-a]pyrimidine
CID 20324958
5-Methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 671687
2-N,4-N-bis[(2S)-1,1,1-trifluorobutan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine
CID 117817560
6-[3-(trifluoromethyl)pyrazol-1-yl]-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 117817582

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (CID 21030356) is 4,6-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is Cc1cc(C)nc(-n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of 4,6-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The InChIKey is XMJKMJZVVBAMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4/c1-6-5-7(2)15-9(14-6)17-4-3-8(16-17)10(11,12)13/h3-5H,1-2H3.
What are the key properties of 4,6-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
4,6-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine has a molecular weight of 242.20 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 21030356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).