2-pyrrolidin-2-yl-4-(trifluoromethyl)pyrimidine;hydrochloride

C9H11ClF3N3 — CID 122156851

IUPAC2-pyrrolidin-2-yl-4-(trifluoromethyl)pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1ccnc(C2CCCN2)n1
InChIInChI=1S/C9H10F3N3.ClH/c10-9(11,12)7-3-5-14-8(15-7)6-2-1-4-13-6;/h3,5-6,13H,1-2,4H2;1H
InChIKeySLHQMKNLMHGWPV-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.34
Rot. Bonds1

About 2-pyrrolidin-2-yl-4-(trifluoromethyl)pyrimidine;hydrochloride

2-pyrrolidin-2-yl-4-(trifluoromethyl)pyrimidine;hydrochloride (PubChem CID 122156851) has the molecular formula C9H11ClF3N3 and a molecular weight of 253.65 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-4-(trifluoromethyl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-4-(trifluoromethyl)pyrimidine;hydrochloride
PubChem CID122156851
Molecular FormulaC9H11ClF3N3
Molecular Weight253.65 g/mol
Exact Mass253.06
IUPAC Name2-pyrrolidin-2-yl-4-(trifluoromethyl)pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1ccnc(C2CCCN2)n1
InChIInChI=1S/C9H10F3N3.ClH/c10-9(11,12)7-3-5-14-8(15-7)6-2-1-4-13-6;/h3,5-6,13H,1-2,4H2;1H
InChIKeySLHQMKNLMHGWPV-UHFFFAOYSA-N
XLogP2.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 2778334
2-Amino-4-(trifluoromethyl)pyrimidine
CID 595915
(3aS,6aS)-1-(4-(trifluoromethyl)pyrimidin-2-yl)-octahydropyrrolo[3,4-b]pyrrole
CID 24849050
Rac-1-(4-(trifluoromethyl)pyrimidin-2-yl)-octahydropyrrolo[3,4-b]pyrrole
CID 44412150
(3aR,6aR)-1-(4-(trifluoromethyl)pyrimidin-2-yl)-octahydropyrrolo[3,4-b]pyrrole
CID 44412308
(2R,3aS,6aS)-2-methyl-1-(4-(trifluoromethyl)pyrimidin-2-yl)-octahydropyrrolo[3,4-b]pyrrole
CID 44412388
(2S,3aS,6aS)-2-methyl-1-(4-(trifluoromethyl)pyrimidin-2-yl)-octahydropyrrolo[3,4-b]pyrrole
CID 44412389
2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[4-(difluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine
CID 90466270
2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817034
2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine
CID 117817045
2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817165
2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[4-(difluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817187

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-4-(trifluoromethyl)pyrimidine;hydrochloride?
The IUPAC name of 2-pyrrolidin-2-yl-4-(trifluoromethyl)pyrimidine;hydrochloride (CID 122156851) is 2-pyrrolidin-2-yl-4-(trifluoromethyl)pyrimidine;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-2-yl-4-(trifluoromethyl)pyrimidine;hydrochloride?
The canonical SMILES for 2-pyrrolidin-2-yl-4-(trifluoromethyl)pyrimidine;hydrochloride is Cl.FC(F)(F)c1ccnc(C2CCCN2)n1.
What is the InChIKey of 2-pyrrolidin-2-yl-4-(trifluoromethyl)pyrimidine;hydrochloride?
The InChIKey is SLHQMKNLMHGWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3.ClH/c10-9(11,12)7-3-5-14-8(15-7)6-2-1-4-13-6;/h3,5-6,13H,1-2,4H2;1H.
What are the key properties of 2-pyrrolidin-2-yl-4-(trifluoromethyl)pyrimidine;hydrochloride?
2-pyrrolidin-2-yl-4-(trifluoromethyl)pyrimidine;hydrochloride has a molecular weight of 253.65 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-4-(trifluoromethyl)pyrimidine;hydrochloride is sourced from PubChem (CID 122156851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).