2,3-dimethyl-5-(4-methylpiperazin-1-yl)-N-propan-2-yl-3,4-dihydropyrimido[1,2-a]quinoxalin-9-imine

C21H30N6 — CID 136627710

IUPAC2,3-dimethyl-5-(4-methylpiperazin-1-yl)-N-propan-2-yl-3,4-dihydropyrimido[1,2-a]quinoxalin-9-imine
SMILESCC1=Cn2c3c/c(=N/C(C)C)ccc-3nc(N3CCN(C)CC3)c2NC1C
InChIInChI=1S/C21H30N6/c1-14(2)22-17-6-7-18-19(12-17)27-13-15(3)16(4)23-21(27)20(24-18)26-10-8-25(5)9-11-26/h6-7,12-14,16,23H,8-11H2,1-5H3/b22-17+
InChIKeyYEHUICRBNNQKOB-OQKWZONESA-N
MW366.51 g/mol
LogP2.72
Rot. Bonds2

About 2,3-dimethyl-5-(4-methylpiperazin-1-yl)-N-propan-2-yl-3,4-dihydropyrimido[1,2-a]quinoxalin-9-imine

2,3-dimethyl-5-(4-methylpiperazin-1-yl)-N-propan-2-yl-3,4-dihydropyrimido[1,2-a]quinoxalin-9-imine (PubChem CID 136627710) has the molecular formula C21H30N6 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2,3-dimethyl-5-(4-methylpiperazin-1-yl)-N-propan-2-yl-3,4-dihydropyrimido[1,2-a]quinoxalin-9-imine.

Molecular Properties

Compound Name2,3-dimethyl-5-(4-methylpiperazin-1-yl)-N-propan-2-yl-3,4-dihydropyrimido[1,2-a]quinoxalin-9-imine
PubChem CID136627710
Molecular FormulaC21H30N6
Molecular Weight366.51 g/mol
Exact Mass366.25
IUPAC Name2,3-dimethyl-5-(4-methylpiperazin-1-yl)-N-propan-2-yl-3,4-dihydropyrimido[1,2-a]quinoxalin-9-imine
SMILESCC1=Cn2c3c/c(=N/C(C)C)ccc-3nc(N3CCN(C)CC3)c2NC1C
InChIInChI=1S/C21H30N6/c1-14(2)22-17-6-7-18-19(12-17)27-13-15(3)16(4)23-21(27)20(24-18)26-10-8-25(5)9-11-26/h6-7,12-14,16,23H,8-11H2,1-5H3/b22-17+
InChIKeyYEHUICRBNNQKOB-OQKWZONESA-N
XLogP2.72
TPSA48.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-Methylpiperazin-1-yl)-1,8a-dihydroquinoxaline
CID 132195888
6,7-Dimethyl-3-(3-propan-2-ylpiperazin-1-yl)-1,8a-dihydroquinoxaline
CID 132195906
8-methyl-6-(4-methylpiperazin-1-yl)-N-propan-2-yl-8,9-dihydro-7H-[1,3]diazepino[1,2-a]quinoxalin-2-imine
CID 137117718
6-(3,3-dimethylpiperazin-1-yl)-N-[[4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-1,2-dihydropyrimidin-5-amine
CID 176561478
(2E)-1-[7-(3,5-dimethylpiperazin-1-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethylpenta-2,4-dien-1-imine
CID 142511433

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(4-methylpiperazin-1-yl)-N-propan-2-yl-3,4-dihydropyrimido[1,2-a]quinoxalin-9-imine?
The IUPAC name of 2,3-dimethyl-5-(4-methylpiperazin-1-yl)-N-propan-2-yl-3,4-dihydropyrimido[1,2-a]quinoxalin-9-imine (CID 136627710) is 2,3-dimethyl-5-(4-methylpiperazin-1-yl)-N-propan-2-yl-3,4-dihydropyrimido[1,2-a]quinoxalin-9-imine.
What is the SMILES notation for 2,3-dimethyl-5-(4-methylpiperazin-1-yl)-N-propan-2-yl-3,4-dihydropyrimido[1,2-a]quinoxalin-9-imine?
The canonical SMILES for 2,3-dimethyl-5-(4-methylpiperazin-1-yl)-N-propan-2-yl-3,4-dihydropyrimido[1,2-a]quinoxalin-9-imine is CC1=Cn2c3c/c(=N/C(C)C)ccc-3nc(N3CCN(C)CC3)c2NC1C.
What is the InChIKey of 2,3-dimethyl-5-(4-methylpiperazin-1-yl)-N-propan-2-yl-3,4-dihydropyrimido[1,2-a]quinoxalin-9-imine?
The InChIKey is YEHUICRBNNQKOB-OQKWZONESA-N. The full InChI is InChI=1S/C21H30N6/c1-14(2)22-17-6-7-18-19(12-17)27-13-15(3)16(4)23-21(27)20(24-18)26-10-8-25(5)9-11-26/h6-7,12-14,16,23H,8-11H2,1-5H3/b22-17+.
What are the key properties of 2,3-dimethyl-5-(4-methylpiperazin-1-yl)-N-propan-2-yl-3,4-dihydropyrimido[1,2-a]quinoxalin-9-imine?
2,3-dimethyl-5-(4-methylpiperazin-1-yl)-N-propan-2-yl-3,4-dihydropyrimido[1,2-a]quinoxalin-9-imine has a molecular weight of 366.51 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(4-methylpiperazin-1-yl)-N-propan-2-yl-3,4-dihydropyrimido[1,2-a]quinoxalin-9-imine is sourced from PubChem (CID 136627710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).