2-phenyl-4-piperazin-1-yl-6-pyridin-2-ylpyrimidine

C19H19N5 — CID 56766861

IUPAC2-phenyl-4-piperazin-1-yl-6-pyridin-2-ylpyrimidine
SMILESc1ccc(-c2nc(-c3ccccn3)cc(N3CCNCC3)n2)cc1
InChIInChI=1S/C19H19N5/c1-2-6-15(7-3-1)19-22-17(16-8-4-5-9-21-16)14-18(23-19)24-12-10-20-11-13-24/h1-9,14,20H,10-13H2
InChIKeyFAHYYYYCZZNORK-UHFFFAOYSA-N
MW317.40 g/mol
LogP2.62
Rot. Bonds3

About 2-phenyl-4-piperazin-1-yl-6-pyridin-2-ylpyrimidine

2-phenyl-4-piperazin-1-yl-6-pyridin-2-ylpyrimidine (PubChem CID 56766861) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-phenyl-4-piperazin-1-yl-6-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name2-phenyl-4-piperazin-1-yl-6-pyridin-2-ylpyrimidine
PubChem CID56766861
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name2-phenyl-4-piperazin-1-yl-6-pyridin-2-ylpyrimidine
SMILESc1ccc(-c2nc(-c3ccccn3)cc(N3CCNCC3)n2)cc1
InChIInChI=1S/C19H19N5/c1-2-6-15(7-3-1)19-22-17(16-8-4-5-9-21-16)14-18(23-19)24-12-10-20-11-13-24/h1-9,14,20H,10-13H2
InChIKeyFAHYYYYCZZNORK-UHFFFAOYSA-N
XLogP2.62
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine
CID 171686343
4-(4-benzhydrylpiperazin-1-yl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidine
CID 3525048
2,4-diphenyl-6-pyridin-2-ylpyrimidine
CID 126746872
2-(2-fluorophenyl)-4-phenyl-6-piperazin-1-ylpyrimidine
CID 56766882
2-phenyl-6-piperazin-1-ylpyrimidine-4-carboxamide
CID 141154526
2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112879979
1-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid
CID 56767679
4-[2-(3-phenylmethoxyphenyl)-6-pyridin-2-ylpyrimidin-4-yl]morpholine
CID 53326165
1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]-1,4-diazepane
CID 71564074
4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride
CID 156865983
1-(5-phenyl-1H-pyrazol-3-yl)piperazine
CID 55146910
2-phenyl-6-piperazin-1-ylpyrazine;hydrochloride
CID 90674681

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-piperazin-1-yl-6-pyridin-2-ylpyrimidine?
The IUPAC name of 2-phenyl-4-piperazin-1-yl-6-pyridin-2-ylpyrimidine (CID 56766861) is 2-phenyl-4-piperazin-1-yl-6-pyridin-2-ylpyrimidine.
What is the SMILES notation for 2-phenyl-4-piperazin-1-yl-6-pyridin-2-ylpyrimidine?
The canonical SMILES for 2-phenyl-4-piperazin-1-yl-6-pyridin-2-ylpyrimidine is c1ccc(-c2nc(-c3ccccn3)cc(N3CCNCC3)n2)cc1.
What is the InChIKey of 2-phenyl-4-piperazin-1-yl-6-pyridin-2-ylpyrimidine?
The InChIKey is FAHYYYYCZZNORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-2-6-15(7-3-1)19-22-17(16-8-4-5-9-21-16)14-18(23-19)24-12-10-20-11-13-24/h1-9,14,20H,10-13H2.
What are the key properties of 2-phenyl-4-piperazin-1-yl-6-pyridin-2-ylpyrimidine?
2-phenyl-4-piperazin-1-yl-6-pyridin-2-ylpyrimidine has a molecular weight of 317.40 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-piperazin-1-yl-6-pyridin-2-ylpyrimidine is sourced from PubChem (CID 56766861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).