4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine

C21H25N7O — CID 154883227

IUPAC4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc(N2CCN(c3cnc4ccccc4n3)CC2)n1
InChIInChI=1S/C21H25N7O/c1-16-14-19(27-10-12-29-13-11-27)25-21(23-16)28-8-6-26(7-9-28)20-15-22-17-4-2-3-5-18(17)24-20/h2-5,14-15H,6-13H2,1H3
InChIKeyVXWUTSSPNHXCPO-UHFFFAOYSA-N
MW391.48 g/mol
LogP1.89
Rot. Bonds3

About 4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine

4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine (PubChem CID 154883227) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
PubChem CID154883227
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc(N2CCN(c3cnc4ccccc4n3)CC2)n1
InChIInChI=1S/C21H25N7O/c1-16-14-19(27-10-12-29-13-11-27)25-21(23-16)28-8-6-26(7-9-28)20-15-22-17-4-2-3-5-18(17)24-20/h2-5,14-15H,6-13H2,1H3
InChIKeyVXWUTSSPNHXCPO-UHFFFAOYSA-N
XLogP1.89
TPSA70.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112912286
4-[6-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 154883208
2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline
CID 155942142
4-quinoxalin-2-yl-1,4-oxazepane
CID 134160732
4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 166601129
6-chloro-2-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline
CID 166601988
6-chloro-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline
CID 166601989
4-[2-(4-ethylsulfonylpiperazin-1-yl)-6-methylpyrimidin-4-yl]morpholine
CID 27656202
4-[4-methyl-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171326637
1,3-benzothiazol-2-yl-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333533
4-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 146074348
2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 163349554

Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine (CID 154883227) is 4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine is Cc1cc(N2CCOCC2)nc(N2CCN(c3cnc4ccccc4n3)CC2)n1.
What is the InChIKey of 4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine?
The InChIKey is VXWUTSSPNHXCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-16-14-19(27-10-12-29-13-11-27)25-21(23-16)28-8-6-26(7-9-28)20-15-22-17-4-2-3-5-18(17)24-20/h2-5,14-15H,6-13H2,1H3.
What are the key properties of 4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine?
4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine has a molecular weight of 391.48 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 154883227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).