7-phenyl-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione

C13H14N2O3 — CID 80519552

IUPAC7-phenyl-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione
SMILESO=C1CC2COCCN2C(=O)N1c1ccccc1
InChIInChI=1S/C13H14N2O3/c16-12-8-11-9-18-7-6-14(11)13(17)15(12)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyNMKSXOJCPZDODC-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.24
Rot. Bonds1

About 7-phenyl-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione

7-phenyl-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione (PubChem CID 80519552) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 7-phenyl-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione.

Molecular Properties

Compound Name7-phenyl-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione
PubChem CID80519552
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name7-phenyl-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione
SMILESO=C1CC2COCCN2C(=O)N1c1ccccc1
InChIInChI=1S/C13H14N2O3/c16-12-8-11-9-18-7-6-14(11)13(17)15(12)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyNMKSXOJCPZDODC-UHFFFAOYSA-N
XLogP1.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione?
The IUPAC name of 7-phenyl-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione (CID 80519552) is 7-phenyl-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione.
What is the SMILES notation for 7-phenyl-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione?
The canonical SMILES for 7-phenyl-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione is O=C1CC2COCCN2C(=O)N1c1ccccc1.
What is the InChIKey of 7-phenyl-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione?
The InChIKey is NMKSXOJCPZDODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-12-8-11-9-18-7-6-14(11)13(17)15(12)10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of 7-phenyl-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione?
7-phenyl-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione has a molecular weight of 246.27 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione is sourced from PubChem (CID 80519552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).