7-cyclonona-1,3-dien-1-yl-2,3-dimethyl-9-piperazin-1-yl-2H-pyrazino[1,2-a]pyrimidine

C22H31N5 — CID 123324389

IUPAC7-cyclonona-1,3-dien-1-yl-2,3-dimethyl-9-piperazin-1-yl-2H-pyrazino[1,2-a]pyrimidine
SMILESCC1=CN2C=C(C3=CC=CCCCCC3)N=C(N3CCNCC3)C2=NC1C
InChIInChI=1S/C22H31N5/c1-17-15-27-16-20(19-9-7-5-3-4-6-8-10-19)25-22(21(27)24-18(17)2)26-13-11-23-12-14-26/h5,7,9,15-16,18,23H,3-4,6,8,10-14H2,1-2H3
InChIKeyFDWFMFBRXPBZEU-UHFFFAOYSA-N
MW365.53 g/mol
LogP3.60
Rot. Bonds1

About 7-cyclonona-1,3-dien-1-yl-2,3-dimethyl-9-piperazin-1-yl-2H-pyrazino[1,2-a]pyrimidine

7-cyclonona-1,3-dien-1-yl-2,3-dimethyl-9-piperazin-1-yl-2H-pyrazino[1,2-a]pyrimidine (PubChem CID 123324389) has the molecular formula C22H31N5 and a molecular weight of 365.53 g/mol. Its IUPAC name is 7-cyclonona-1,3-dien-1-yl-2,3-dimethyl-9-piperazin-1-yl-2H-pyrazino[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-cyclonona-1,3-dien-1-yl-2,3-dimethyl-9-piperazin-1-yl-2H-pyrazino[1,2-a]pyrimidine
PubChem CID123324389
Molecular FormulaC22H31N5
Molecular Weight365.53 g/mol
Exact Mass365.26
IUPAC Name7-cyclonona-1,3-dien-1-yl-2,3-dimethyl-9-piperazin-1-yl-2H-pyrazino[1,2-a]pyrimidine
SMILESCC1=CN2C=C(C3=CC=CCCCCC3)N=C(N3CCNCC3)C2=NC1C
InChIInChI=1S/C22H31N5/c1-17-15-27-16-20(19-9-7-5-3-4-6-8-10-19)25-22(21(27)24-18(17)2)26-13-11-23-12-14-26/h5,7,9,15-16,18,23H,3-4,6,8,10-14H2,1-2H3
InChIKeyFDWFMFBRXPBZEU-UHFFFAOYSA-N
XLogP3.60
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.53
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-cyclonona-1,3-dien-1-yl-2,3-dimethyl-9-piperazin-1-yl-2H-pyrazino[1,2-a]pyrimidine with MolForge

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Related Compounds

(2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine
CID 142345339
(1E)-N,N-dimethyl-2-(9-piperidin-4-ylimino-2,8-dihydropyrazino[1,2-a]pyrimidin-4-yl)buta-1,3-dien-1-amine
CID 143464867
(E)-1-[4-cyclobutylidene-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehept-2-en-1-imine
CID 142510968

Frequently Asked Questions

What is the IUPAC name of 7-cyclonona-1,3-dien-1-yl-2,3-dimethyl-9-piperazin-1-yl-2H-pyrazino[1,2-a]pyrimidine?
The IUPAC name of 7-cyclonona-1,3-dien-1-yl-2,3-dimethyl-9-piperazin-1-yl-2H-pyrazino[1,2-a]pyrimidine (CID 123324389) is 7-cyclonona-1,3-dien-1-yl-2,3-dimethyl-9-piperazin-1-yl-2H-pyrazino[1,2-a]pyrimidine.
What is the SMILES notation for 7-cyclonona-1,3-dien-1-yl-2,3-dimethyl-9-piperazin-1-yl-2H-pyrazino[1,2-a]pyrimidine?
The canonical SMILES for 7-cyclonona-1,3-dien-1-yl-2,3-dimethyl-9-piperazin-1-yl-2H-pyrazino[1,2-a]pyrimidine is CC1=CN2C=C(C3=CC=CCCCCC3)N=C(N3CCNCC3)C2=NC1C.
What is the InChIKey of 7-cyclonona-1,3-dien-1-yl-2,3-dimethyl-9-piperazin-1-yl-2H-pyrazino[1,2-a]pyrimidine?
The InChIKey is FDWFMFBRXPBZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5/c1-17-15-27-16-20(19-9-7-5-3-4-6-8-10-19)25-22(21(27)24-18(17)2)26-13-11-23-12-14-26/h5,7,9,15-16,18,23H,3-4,6,8,10-14H2,1-2H3.
What are the key properties of 7-cyclonona-1,3-dien-1-yl-2,3-dimethyl-9-piperazin-1-yl-2H-pyrazino[1,2-a]pyrimidine?
7-cyclonona-1,3-dien-1-yl-2,3-dimethyl-9-piperazin-1-yl-2H-pyrazino[1,2-a]pyrimidine has a molecular weight of 365.53 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclonona-1,3-dien-1-yl-2,3-dimethyl-9-piperazin-1-yl-2H-pyrazino[1,2-a]pyrimidine is sourced from PubChem (CID 123324389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).