2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine

C17H20F3N5 — CID 56865012

IUPAC2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
SMILESFC(F)(F)CCc1ccnc(N2CCN(Cc3ccccn3)CC2)n1
InChIInChI=1S/C17H20F3N5/c18-17(19,20)6-4-14-5-8-22-16(23-14)25-11-9-24(10-12-25)13-15-3-1-2-7-21-15/h1-3,5,7-8H,4,6,9-13H2
InChIKeyHSJZNAYZPKHVKI-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.69
Rot. Bonds5

About 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine

2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine (PubChem CID 56865012) has the molecular formula C17H20F3N5 and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
PubChem CID56865012
Molecular FormulaC17H20F3N5
Molecular Weight351.38 g/mol
Exact Mass351.17
IUPAC Name2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
SMILESFC(F)(F)CCc1ccnc(N2CCN(Cc3ccccn3)CC2)n1
InChIInChI=1S/C17H20F3N5/c18-17(19,20)6-4-14-5-8-22-16(23-14)25-11-9-24(10-12-25)13-15-3-1-2-7-21-15/h1-3,5,7-8H,4,6,9-13H2
InChIKeyHSJZNAYZPKHVKI-UHFFFAOYSA-N
XLogP2.69
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56864640
1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 171700809
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine
CID 133349095
4-hydroxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 56872070
2-[(3S)-3-phenylpiperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 95553696
[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylazanide
CID 157303748
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 131703770
4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 171130101
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline
CID 19626880
[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-2-pyridinyl]methanol
CID 131914452

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine?
The IUPAC name of 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine (CID 56865012) is 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine.
What is the SMILES notation for 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine?
The canonical SMILES for 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine is FC(F)(F)CCc1ccnc(N2CCN(Cc3ccccn3)CC2)n1.
What is the InChIKey of 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine?
The InChIKey is HSJZNAYZPKHVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5/c18-17(19,20)6-4-14-5-8-22-16(23-14)25-11-9-24(10-12-25)13-15-3-1-2-7-21-15/h1-3,5,7-8H,4,6,9-13H2.
What are the key properties of 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine?
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine has a molecular weight of 351.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine is sourced from PubChem (CID 56865012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).