3,4-dihydro-2H-pyrimido[2,1-b][1,3]oxazin-8-one

C7H8N2O2 — CID 14449529

IUPAC3,4-dihydro-2H-pyrimido[2,1-b][1,3]oxazin-8-one
SMILESO=c1ccn2c(n1)OCCC2
InChIInChI=1S/C7H8N2O2/c10-6-2-4-9-3-1-5-11-7(9)8-6/h2,4H,1,3,5H2
InChIKeyWZBDNSMLBXKUHR-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.03
Rot. Bonds

About 3,4-dihydro-2H-pyrimido[2,1-b][1,3]oxazin-8-one

3,4-dihydro-2H-pyrimido[2,1-b][1,3]oxazin-8-one (PubChem CID 14449529) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrimido[2,1-b][1,3]oxazin-8-one.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrimido[2,1-b][1,3]oxazin-8-one
PubChem CID14449529
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name3,4-dihydro-2H-pyrimido[2,1-b][1,3]oxazin-8-one
SMILESO=c1ccn2c(n1)OCCC2
InChIInChI=1S/C7H8N2O2/c10-6-2-4-9-3-1-5-11-7(9)8-6/h2,4H,1,3,5H2
InChIKeyWZBDNSMLBXKUHR-UHFFFAOYSA-N
XLogP0.03
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrimido[2,1-b][1,3]oxazin-8-one?
The IUPAC name of 3,4-dihydro-2H-pyrimido[2,1-b][1,3]oxazin-8-one (CID 14449529) is 3,4-dihydro-2H-pyrimido[2,1-b][1,3]oxazin-8-one.
What is the SMILES notation for 3,4-dihydro-2H-pyrimido[2,1-b][1,3]oxazin-8-one?
The canonical SMILES for 3,4-dihydro-2H-pyrimido[2,1-b][1,3]oxazin-8-one is O=c1ccn2c(n1)OCCC2.
What is the InChIKey of 3,4-dihydro-2H-pyrimido[2,1-b][1,3]oxazin-8-one?
The InChIKey is WZBDNSMLBXKUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-6-2-4-9-3-1-5-11-7(9)8-6/h2,4H,1,3,5H2.
What are the key properties of 3,4-dihydro-2H-pyrimido[2,1-b][1,3]oxazin-8-one?
3,4-dihydro-2H-pyrimido[2,1-b][1,3]oxazin-8-one has a molecular weight of 152.15 g/mol, XLogP of 0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrimido[2,1-b][1,3]oxazin-8-one is sourced from PubChem (CID 14449529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).