2-methyl-3,5-dihydropyrimido[4,5-b][1,4]oxazine-4,6-dione

C7H7N3O3 — CID 13445892

IUPAC2-methyl-3,5-dihydropyrimido[4,5-b][1,4]oxazine-4,6-dione
SMILESCc1nc2c(c(=O)[nH]1)NC(=O)CO2
InChIInChI=1S/C7H7N3O3/c1-3-8-6(12)5-7(9-3)13-2-4(11)10-5/h2H2,1H3,(H,10,11)(H,8,9,12)
InChIKeyDAXSIBGNPJMNKQ-UHFFFAOYSA-N
MW181.15 g/mol
LogP-0.59
Rot. Bonds

About 2-methyl-3,5-dihydropyrimido[4,5-b][1,4]oxazine-4,6-dione

2-methyl-3,5-dihydropyrimido[4,5-b][1,4]oxazine-4,6-dione (PubChem CID 13445892) has the molecular formula C7H7N3O3 and a molecular weight of 181.15 g/mol. Its IUPAC name is 2-methyl-3,5-dihydropyrimido[4,5-b][1,4]oxazine-4,6-dione.

Molecular Properties

Compound Name2-methyl-3,5-dihydropyrimido[4,5-b][1,4]oxazine-4,6-dione
PubChem CID13445892
Molecular FormulaC7H7N3O3
Molecular Weight181.15 g/mol
Exact Mass181.05
IUPAC Name2-methyl-3,5-dihydropyrimido[4,5-b][1,4]oxazine-4,6-dione
SMILESCc1nc2c(c(=O)[nH]1)NC(=O)CO2
InChIInChI=1S/C7H7N3O3/c1-3-8-6(12)5-7(9-3)13-2-4(11)10-5/h2H2,1H3,(H,10,11)(H,8,9,12)
InChIKeyDAXSIBGNPJMNKQ-UHFFFAOYSA-N
XLogP-0.59
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,5-dihydropyrimido[4,5-b][1,4]oxazine-4,6-dione?
The IUPAC name of 2-methyl-3,5-dihydropyrimido[4,5-b][1,4]oxazine-4,6-dione (CID 13445892) is 2-methyl-3,5-dihydropyrimido[4,5-b][1,4]oxazine-4,6-dione.
What is the SMILES notation for 2-methyl-3,5-dihydropyrimido[4,5-b][1,4]oxazine-4,6-dione?
The canonical SMILES for 2-methyl-3,5-dihydropyrimido[4,5-b][1,4]oxazine-4,6-dione is Cc1nc2c(c(=O)[nH]1)NC(=O)CO2.
What is the InChIKey of 2-methyl-3,5-dihydropyrimido[4,5-b][1,4]oxazine-4,6-dione?
The InChIKey is DAXSIBGNPJMNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3/c1-3-8-6(12)5-7(9-3)13-2-4(11)10-5/h2H2,1H3,(H,10,11)(H,8,9,12).
What are the key properties of 2-methyl-3,5-dihydropyrimido[4,5-b][1,4]oxazine-4,6-dione?
2-methyl-3,5-dihydropyrimido[4,5-b][1,4]oxazine-4,6-dione has a molecular weight of 181.15 g/mol, XLogP of -0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,5-dihydropyrimido[4,5-b][1,4]oxazine-4,6-dione is sourced from PubChem (CID 13445892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).