4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine

C19H22F3N5 — CID 122282293

IUPAC4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
SMILESFC(F)(F)c1cccc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)c1
InChIInChI=1S/C19H22F3N5/c20-19(21,22)15-4-3-5-16(12-15)25-8-10-27(11-9-25)18-13-17(23-14-24-18)26-6-1-2-7-26/h3-5,12-14H,1-2,6-11H2
InChIKeyISAXJCGGXCTUIP-UHFFFAOYSA-N
MW377.41 g/mol
LogP3.42
Rot. Bonds3

About 4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine

4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine (PubChem CID 122282293) has the molecular formula C19H22F3N5 and a molecular weight of 377.41 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
PubChem CID122282293
Molecular FormulaC19H22F3N5
Molecular Weight377.41 g/mol
Exact Mass377.18
IUPAC Name4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
SMILESFC(F)(F)c1cccc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)c1
InChIInChI=1S/C19H22F3N5/c20-19(21,22)15-4-3-5-16(12-15)25-8-10-27(11-9-25)18-13-17(23-14-24-18)26-6-1-2-7-26/h3-5,12-14H,1-2,6-11H2
InChIKeyISAXJCGGXCTUIP-UHFFFAOYSA-N
XLogP3.42
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282517
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554
6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 122282471
2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 42485311
4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 155823188
2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine
CID 171334508
1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 169336754
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
3-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]triazolo[4,5-d]pyrimidine
CID 7192825
5-(4-chlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 4299131

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine (CID 122282293) is 4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine is FC(F)(F)c1cccc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)c1.
What is the InChIKey of 4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine?
The InChIKey is ISAXJCGGXCTUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5/c20-19(21,22)15-4-3-5-16(12-15)25-8-10-27(11-9-25)18-13-17(23-14-24-18)26-6-1-2-7-26/h3-5,12-14H,1-2,6-11H2.
What are the key properties of 4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine?
4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine has a molecular weight of 377.41 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 122282293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).