4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine

C10H11ClF3N3 — CID 106767266

IUPAC4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCC1CCCN1c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H11ClF3N3/c1-6-3-2-4-17(6)8-5-7(11)15-9(16-8)10(12,13)14/h5-6H,2-4H2,1H3
InChIKeyANILITRVLSIINQ-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.14
Rot. Bonds1

About 4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine

4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 106767266) has the molecular formula C10H11ClF3N3 and a molecular weight of 265.67 g/mol. Its IUPAC name is 4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID106767266
Molecular FormulaC10H11ClF3N3
Molecular Weight265.67 g/mol
Exact Mass265.06
IUPAC Name4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCC1CCCN1c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H11ClF3N3/c1-6-3-2-4-17(6)8-5-7(11)15-9(16-8)10(12,13)14/h5-6H,2-4H2,1H3
InChIKeyANILITRVLSIINQ-UHFFFAOYSA-N
XLogP3.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-6-(pyrrolidin-1-yl)pyrimidin-2-amine
CID 1481938
4-Chloro-6-(pyrrolidin-1-yl)pyrimidine
CID 22309524
4-Chloro-2,6-di(pyrrolidin-1-yl)pyrimidine
CID 703699
6-Chloro-N,N,2-trimethyl-4-pyrimidinamine
CID 40787015
4-Chloro-2-methyl-6-pyrrolidin-1-yl-pyrimidine
CID 40787016
6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 46738254
4-chloro-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 90655030
3-(6-Chloropyrimidin-4-yl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
CID 134789142
6-chloro-N-(2,2-difluoroethyl)-2-methylpyrimidin-4-amine
CID 79098170
6-chloro-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 58336991
4-Chloro-2-(methylthio)-6-[(2S)-2-(trifluoromethyl)-1-pyrrolidinyl]pyrimidine
CID 58504425
4-Chloro-2-(methylsulfonyl)-6-[(2S)-2-(trifluoromethyl)-1-pyrrolidinyl]pyrimidine
CID 58504543

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine (CID 106767266) is 4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine is CC1CCCN1c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is ANILITRVLSIINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3/c1-6-3-2-4-17(6)8-5-7(11)15-9(16-8)10(12,13)14/h5-6H,2-4H2,1H3.
What are the key properties of 4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 265.67 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106767266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).