1-methyl-2,4-dihydropyrimido[4,5-d][1,3]oxazine

C7H9N3O — CID 118056242

IUPAC1-methyl-2,4-dihydropyrimido[4,5-d][1,3]oxazine
SMILESCN1COCc2cncnc21
InChIInChI=1S/C7H9N3O/c1-10-5-11-3-6-2-8-4-9-7(6)10/h2,4H,3,5H2,1H3
InChIKeyPLTRLDIPNUOETK-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.40
Rot. Bonds

About 1-methyl-2,4-dihydropyrimido[4,5-d][1,3]oxazine

1-methyl-2,4-dihydropyrimido[4,5-d][1,3]oxazine (PubChem CID 118056242) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 1-methyl-2,4-dihydropyrimido[4,5-d][1,3]oxazine.

Molecular Properties

Compound Name1-methyl-2,4-dihydropyrimido[4,5-d][1,3]oxazine
PubChem CID118056242
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name1-methyl-2,4-dihydropyrimido[4,5-d][1,3]oxazine
SMILESCN1COCc2cncnc21
InChIInChI=1S/C7H9N3O/c1-10-5-11-3-6-2-8-4-9-7(6)10/h2,4H,3,5H2,1H3
InChIKeyPLTRLDIPNUOETK-UHFFFAOYSA-N
XLogP0.40
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4-dihydropyrimido[4,5-d][1,3]oxazine?
The IUPAC name of 1-methyl-2,4-dihydropyrimido[4,5-d][1,3]oxazine (CID 118056242) is 1-methyl-2,4-dihydropyrimido[4,5-d][1,3]oxazine.
What is the SMILES notation for 1-methyl-2,4-dihydropyrimido[4,5-d][1,3]oxazine?
The canonical SMILES for 1-methyl-2,4-dihydropyrimido[4,5-d][1,3]oxazine is CN1COCc2cncnc21.
What is the InChIKey of 1-methyl-2,4-dihydropyrimido[4,5-d][1,3]oxazine?
The InChIKey is PLTRLDIPNUOETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-10-5-11-3-6-2-8-4-9-7(6)10/h2,4H,3,5H2,1H3.
What are the key properties of 1-methyl-2,4-dihydropyrimido[4,5-d][1,3]oxazine?
1-methyl-2,4-dihydropyrimido[4,5-d][1,3]oxazine has a molecular weight of 151.17 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4-dihydropyrimido[4,5-d][1,3]oxazine is sourced from PubChem (CID 118056242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).