2-[[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

C22H26N4O2 — CID 92514473

IUPAC2-[[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCN1C[C@@H](CN(C)Cc2cc(=O)n3ccc(C)cc3n2)Oc2ccccc21
InChIInChI=1S/C22H26N4O2/c1-4-25-15-18(28-20-8-6-5-7-19(20)25)14-24(3)13-17-12-22(27)26-10-9-16(2)11-21(26)23-17/h5-12,18H,4,13-15H2,1-3H3/t18-/m1/s1
InChIKeyMCCQPSDAWJXRBQ-GOSISDBHSA-N
MW378.48 g/mol
LogP2.72
Rot. Bonds5

About 2-[[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

2-[[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 92514473) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID92514473
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCN1C[C@@H](CN(C)Cc2cc(=O)n3ccc(C)cc3n2)Oc2ccccc21
InChIInChI=1S/C22H26N4O2/c1-4-25-15-18(28-20-8-6-5-7-19(20)25)14-24(3)13-17-12-22(27)26-10-9-16(2)11-21(26)23-17/h5-12,18H,4,13-15H2,1-3H3/t18-/m1/s1
InChIKeyMCCQPSDAWJXRBQ-GOSISDBHSA-N
XLogP2.72
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 92514473) is 2-[[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is CCN1C[C@@H](CN(C)Cc2cc(=O)n3ccc(C)cc3n2)Oc2ccccc21.
What is the InChIKey of 2-[[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MCCQPSDAWJXRBQ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-4-25-15-18(28-20-8-6-5-7-19(20)25)14-24(3)13-17-12-22(27)26-10-9-16(2)11-21(26)23-17/h5-12,18H,4,13-15H2,1-3H3/t18-/m1/s1.
What are the key properties of 2-[[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 378.48 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 92514473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).