2-[3-methanimidoyl-4-(methylamino)phenyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrazino[1,2-a]pyrimidin-4-one

C20H20N6O — CID 144885176

IUPAC2-[3-methanimidoyl-4-(methylamino)phenyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrazino[1,2-a]pyrimidin-4-one
SMILES[H]/N=C/c1cc(-c2cc(=O)n3cc(C4=CCNCC4)ncc3n2)ccc1NC
InChIInChI=1S/C20H20N6O/c1-22-16-3-2-14(8-15(16)10-21)17-9-20(27)26-12-18(24-11-19(26)25-17)13-4-6-23-7-5-13/h2-4,8-12,21-23H,5-7H2,1H3/b21-10+
InChIKeyAZIYXMCUOQEEDZ-UFFVCSGVSA-N
MW360.42 g/mol
LogP2.17
Rot. Bonds4

About 2-[3-methanimidoyl-4-(methylamino)phenyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrazino[1,2-a]pyrimidin-4-one

2-[3-methanimidoyl-4-(methylamino)phenyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrazino[1,2-a]pyrimidin-4-one (PubChem CID 144885176) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[3-methanimidoyl-4-(methylamino)phenyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[3-methanimidoyl-4-(methylamino)phenyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrazino[1,2-a]pyrimidin-4-one
PubChem CID144885176
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2-[3-methanimidoyl-4-(methylamino)phenyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrazino[1,2-a]pyrimidin-4-one
SMILES[H]/N=C/c1cc(-c2cc(=O)n3cc(C4=CCNCC4)ncc3n2)ccc1NC
InChIInChI=1S/C20H20N6O/c1-22-16-3-2-14(8-15(16)10-21)17-9-20(27)26-12-18(24-11-19(26)25-17)13-4-6-23-7-5-13/h2-4,8-12,21-23H,5-7H2,1H3/b21-10+
InChIKeyAZIYXMCUOQEEDZ-UFFVCSGVSA-N
XLogP2.17
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methanimidoyl-4-(methylamino)phenyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[3-methanimidoyl-4-(methylamino)phenyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrazino[1,2-a]pyrimidin-4-one (CID 144885176) is 2-[3-methanimidoyl-4-(methylamino)phenyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[3-methanimidoyl-4-(methylamino)phenyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[3-methanimidoyl-4-(methylamino)phenyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrazino[1,2-a]pyrimidin-4-one is [H]/N=C/c1cc(-c2cc(=O)n3cc(C4=CCNCC4)ncc3n2)ccc1NC.
What is the InChIKey of 2-[3-methanimidoyl-4-(methylamino)phenyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is AZIYXMCUOQEEDZ-UFFVCSGVSA-N. The full InChI is InChI=1S/C20H20N6O/c1-22-16-3-2-14(8-15(16)10-21)17-9-20(27)26-12-18(24-11-19(26)25-17)13-4-6-23-7-5-13/h2-4,8-12,21-23H,5-7H2,1H3/b21-10+.
What are the key properties of 2-[3-methanimidoyl-4-(methylamino)phenyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrazino[1,2-a]pyrimidin-4-one?
2-[3-methanimidoyl-4-(methylamino)phenyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 360.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methanimidoyl-4-(methylamino)phenyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 144885176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).