2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4-carbonitrile

C15H13F3N6 — CID 155973955

IUPAC2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1
InChIInChI=1S/C15H13F3N6/c16-15(17,18)11-1-2-13(21-10-11)23-5-7-24(8-6-23)14-20-4-3-12(9-19)22-14/h1-4,10H,5-8H2
InChIKeyWVYYCKCCNBZSBY-UHFFFAOYSA-N
MW334.31 g/mol
LogP2.09
Rot. Bonds2

About 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4-carbonitrile

2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4-carbonitrile (PubChem CID 155973955) has the molecular formula C15H13F3N6 and a molecular weight of 334.31 g/mol. Its IUPAC name is 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4-carbonitrile
PubChem CID155973955
Molecular FormulaC15H13F3N6
Molecular Weight334.31 g/mol
Exact Mass334.12
IUPAC Name2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1
InChIInChI=1S/C15H13F3N6/c16-15(17,18)11-1-2-13(21-10-11)23-5-7-24(8-6-23)14-20-4-3-12(9-19)22-14/h1-4,10H,5-8H2
InChIKeyWVYYCKCCNBZSBY-UHFFFAOYSA-N
XLogP2.09
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-4-carbonitrile
CID 163356398
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine
CID 154883523
4-(4-fluorophenoxy)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 56575886
5-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]pyridine-2-carbonitrile
CID 133358806
2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107543268
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzonitrile
CID 126697855
2-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]pyrimidine-4-carbonitrile
CID 171999793
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 3702315
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 133283191

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4-carbonitrile (CID 155973955) is 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4-carbonitrile is N#Cc1ccnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1.
What is the InChIKey of 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4-carbonitrile?
The InChIKey is WVYYCKCCNBZSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6/c16-15(17,18)11-1-2-13(21-10-11)23-5-7-24(8-6-23)14-20-4-3-12(9-19)22-14/h1-4,10H,5-8H2.
What are the key properties of 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4-carbonitrile?
2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4-carbonitrile has a molecular weight of 334.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 155973955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).