3,4-dihydro-1H-pyrimido[4,5-c]oxazine

C6H7N3O — CID 45080114

IUPAC3,4-dihydro-1H-pyrimido[4,5-c]oxazine
SMILESc1ncc2c(n1)NOCC2
InChIInChI=1S/C6H7N3O/c1-2-10-9-6-5(1)3-7-4-8-6/h3-4H,1-2H2,(H,7,8,9)
InChIKeyOATGMUUQJINGAP-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.38
Rot. Bonds

About 3,4-dihydro-1H-pyrimido[4,5-c]oxazine

3,4-dihydro-1H-pyrimido[4,5-c]oxazine (PubChem CID 45080114) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 3,4-dihydro-1H-pyrimido[4,5-c]oxazine.

Molecular Properties

Compound Name3,4-dihydro-1H-pyrimido[4,5-c]oxazine
PubChem CID45080114
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name3,4-dihydro-1H-pyrimido[4,5-c]oxazine
SMILESc1ncc2c(n1)NOCC2
InChIInChI=1S/C6H7N3O/c1-2-10-9-6-5(1)3-7-4-8-6/h3-4H,1-2H2,(H,7,8,9)
InChIKeyOATGMUUQJINGAP-UHFFFAOYSA-N
XLogP0.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-pyrimido[4,5-c]oxazine?
The IUPAC name of 3,4-dihydro-1H-pyrimido[4,5-c]oxazine (CID 45080114) is 3,4-dihydro-1H-pyrimido[4,5-c]oxazine.
What is the SMILES notation for 3,4-dihydro-1H-pyrimido[4,5-c]oxazine?
The canonical SMILES for 3,4-dihydro-1H-pyrimido[4,5-c]oxazine is c1ncc2c(n1)NOCC2.
What is the InChIKey of 3,4-dihydro-1H-pyrimido[4,5-c]oxazine?
The InChIKey is OATGMUUQJINGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c1-2-10-9-6-5(1)3-7-4-8-6/h3-4H,1-2H2,(H,7,8,9).
What are the key properties of 3,4-dihydro-1H-pyrimido[4,5-c]oxazine?
3,4-dihydro-1H-pyrimido[4,5-c]oxazine has a molecular weight of 137.14 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-pyrimido[4,5-c]oxazine is sourced from PubChem (CID 45080114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).