2-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine

C9H4ClF3N4 — CID 174796862

IUPAC2-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine
SMILESFC(F)(F)c1ncc(-c2ccnc(Cl)n2)cn1
InChIInChI=1S/C9H4ClF3N4/c10-8-14-2-1-6(17-8)5-3-15-7(16-4-5)9(11,12)13/h1-4H
InChIKeyAMEDQHFMLXVYNY-UHFFFAOYSA-N
MW260.61 g/mol
LogP2.61
Rot. Bonds1

About 2-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine

2-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine (PubChem CID 174796862) has the molecular formula C9H4ClF3N4 and a molecular weight of 260.61 g/mol. Its IUPAC name is 2-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine
PubChem CID174796862
Molecular FormulaC9H4ClF3N4
Molecular Weight260.61 g/mol
Exact Mass260.01
IUPAC Name2-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine
SMILESFC(F)(F)c1ncc(-c2ccnc(Cl)n2)cn1
InChIInChI=1S/C9H4ClF3N4/c10-8-14-2-1-6(17-8)5-3-15-7(16-4-5)9(11,12)13/h1-4H
InChIKeyAMEDQHFMLXVYNY-UHFFFAOYSA-N
XLogP2.61
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.61
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)-2-(trifluoromethyl)pyrimidine
CID 116903672
4-phenyl-2-(trifluoromethyl)pyrimidine
CID 56956173
5-(2-chloropyrimidin-4-yl)-2-fluorobenzonitrile
CID 24901883
4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine
CID 167422581
4-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidine
CID 116903666
4-(2-chloropyrimidin-4-yl)-2-methylbenzenethiol
CID 174529253
2-chloro-4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidine
CID 118029072
2-(trifluoromethyl)-5-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]pyrimidine
CID 153425457
2-chloro-4-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrimidine
CID 118953813
2-chloro-4-(3-methylphenyl)pyrimidine
CID 24901884
4-(5-bromothiophen-2-yl)-2-chloropyrimidine
CID 15141655
1-[4-(2-chloropyrimidin-4-yl)-2-fluorophenyl]ethanone
CID 24901971

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine?
The IUPAC name of 2-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine (CID 174796862) is 2-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine.
What is the SMILES notation for 2-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine?
The canonical SMILES for 2-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine is FC(F)(F)c1ncc(-c2ccnc(Cl)n2)cn1.
What is the InChIKey of 2-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine?
The InChIKey is AMEDQHFMLXVYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N4/c10-8-14-2-1-6(17-8)5-3-15-7(16-4-5)9(11,12)13/h1-4H.
What are the key properties of 2-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine?
2-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine has a molecular weight of 260.61 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine is sourced from PubChem (CID 174796862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).