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

2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine
CID 102715411
(2S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 145433357
2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 60973947
2-tert-butyl-4-chloro-6-(2,3-dimethylpiperidin-1-yl)pyrimidine
CID 80951560
4-chloro-2-(trifluoromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine
CID 106768458
(4aR,8aR)-1-(2-tert-butyl-6-chloropyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727530
4,6-dichloro-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine
CID 59168274
2-tert-butyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80967534
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
CID 106768014
[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 106767232
6-fluoro-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline
CID 110433500
4-(4-tert-butylpiperazin-1-yl)-6-chloro-2-(trifluoromethyl)pyrimidine
CID 106767317

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).