3,5-dihydro-2H-pyrimido[2,1-c][1,4]benzoxazin-1-one

C11H10N2O2 — CID 21029853

IUPAC3,5-dihydro-2H-pyrimido[2,1-c][1,4]benzoxazin-1-one
SMILESO=C1CCN=C2COc3ccccc3N12
InChIInChI=1S/C11H10N2O2/c14-11-5-6-12-10-7-15-9-4-2-1-3-8(9)13(10)11/h1-4H,5-7H2
InChIKeySAZVHHJUJZPHIQ-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.21
Rot. Bonds

About 3,5-dihydro-2H-pyrimido[2,1-c][1,4]benzoxazin-1-one

3,5-dihydro-2H-pyrimido[2,1-c][1,4]benzoxazin-1-one (PubChem CID 21029853) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3,5-dihydro-2H-pyrimido[2,1-c][1,4]benzoxazin-1-one.

Molecular Properties

Compound Name3,5-dihydro-2H-pyrimido[2,1-c][1,4]benzoxazin-1-one
PubChem CID21029853
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name3,5-dihydro-2H-pyrimido[2,1-c][1,4]benzoxazin-1-one
SMILESO=C1CCN=C2COc3ccccc3N12
InChIInChI=1S/C11H10N2O2/c14-11-5-6-12-10-7-15-9-4-2-1-3-8(9)13(10)11/h1-4H,5-7H2
InChIKeySAZVHHJUJZPHIQ-UHFFFAOYSA-N
XLogP1.21
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydro-2H-pyrimido[2,1-c][1,4]benzoxazin-1-one?
The IUPAC name of 3,5-dihydro-2H-pyrimido[2,1-c][1,4]benzoxazin-1-one (CID 21029853) is 3,5-dihydro-2H-pyrimido[2,1-c][1,4]benzoxazin-1-one.
What is the SMILES notation for 3,5-dihydro-2H-pyrimido[2,1-c][1,4]benzoxazin-1-one?
The canonical SMILES for 3,5-dihydro-2H-pyrimido[2,1-c][1,4]benzoxazin-1-one is O=C1CCN=C2COc3ccccc3N12.
What is the InChIKey of 3,5-dihydro-2H-pyrimido[2,1-c][1,4]benzoxazin-1-one?
The InChIKey is SAZVHHJUJZPHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-11-5-6-12-10-7-15-9-4-2-1-3-8(9)13(10)11/h1-4H,5-7H2.
What are the key properties of 3,5-dihydro-2H-pyrimido[2,1-c][1,4]benzoxazin-1-one?
3,5-dihydro-2H-pyrimido[2,1-c][1,4]benzoxazin-1-one has a molecular weight of 202.21 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydro-2H-pyrimido[2,1-c][1,4]benzoxazin-1-one is sourced from PubChem (CID 21029853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).