2-ethyl-4-piperazin-1-yl-6-pyridin-3-ylpyrimidine

C15H19N5 — CID 94075304

IUPAC2-ethyl-4-piperazin-1-yl-6-pyridin-3-ylpyrimidine
SMILESCCc1nc(-c2cccnc2)cc(N2CCNCC2)n1
InChIInChI=1S/C15H19N5/c1-2-14-18-13(12-4-3-5-17-11-12)10-15(19-14)20-8-6-16-7-9-20/h3-5,10-11,16H,2,6-9H2,1H3
InChIKeyOHWBNEXDTIDHTE-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.51
Rot. Bonds3

About 2-ethyl-4-piperazin-1-yl-6-pyridin-3-ylpyrimidine

2-ethyl-4-piperazin-1-yl-6-pyridin-3-ylpyrimidine (PubChem CID 94075304) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-ethyl-4-piperazin-1-yl-6-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name2-ethyl-4-piperazin-1-yl-6-pyridin-3-ylpyrimidine
PubChem CID94075304
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name2-ethyl-4-piperazin-1-yl-6-pyridin-3-ylpyrimidine
SMILESCCc1nc(-c2cccnc2)cc(N2CCNCC2)n1
InChIInChI=1S/C15H19N5/c1-2-14-18-13(12-4-3-5-17-11-12)10-15(19-14)20-8-6-16-7-9-20/h3-5,10-11,16H,2,6-9H2,1H3
InChIKeyOHWBNEXDTIDHTE-UHFFFAOYSA-N
XLogP1.51
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride
CID 156865983
4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
CID 175342274
4-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine
CID 136580212
N,2-diethyl-6-pyridin-3-ylpyrimidin-4-amine
CID 78990312
1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one
CID 94075450
2-[4-(2-ethyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 56768591
1-(5-pyridin-3-yl-2-pyridinyl)piperazine;hydrochloride
CID 23133526
2-ethyl-4-piperazin-1-ylpyrimidine;dihydrochloride
CID 18698026
1-(3-pyridin-3-ylphenyl)piperazine
CID 150431219
2-phenyl-6-piperazin-1-ylpyrazine;hydrochloride
CID 90674681
4-(4-ethyl-6-pyridin-3-ylpyrimidin-2-yl)morpholine
CID 39804563
4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
CID 82169373

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-piperazin-1-yl-6-pyridin-3-ylpyrimidine?
The IUPAC name of 2-ethyl-4-piperazin-1-yl-6-pyridin-3-ylpyrimidine (CID 94075304) is 2-ethyl-4-piperazin-1-yl-6-pyridin-3-ylpyrimidine.
What is the SMILES notation for 2-ethyl-4-piperazin-1-yl-6-pyridin-3-ylpyrimidine?
The canonical SMILES for 2-ethyl-4-piperazin-1-yl-6-pyridin-3-ylpyrimidine is CCc1nc(-c2cccnc2)cc(N2CCNCC2)n1.
What is the InChIKey of 2-ethyl-4-piperazin-1-yl-6-pyridin-3-ylpyrimidine?
The InChIKey is OHWBNEXDTIDHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-2-14-18-13(12-4-3-5-17-11-12)10-15(19-14)20-8-6-16-7-9-20/h3-5,10-11,16H,2,6-9H2,1H3.
What are the key properties of 2-ethyl-4-piperazin-1-yl-6-pyridin-3-ylpyrimidine?
2-ethyl-4-piperazin-1-yl-6-pyridin-3-ylpyrimidine has a molecular weight of 269.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-piperazin-1-yl-6-pyridin-3-ylpyrimidine is sourced from PubChem (CID 94075304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).