4,5-diamino-2-methyl-4,5-dihydro-1,3-oxazin-6-one

C5H9N3O2 — CID 143871919

IUPAC4,5-diamino-2-methyl-4,5-dihydro-1,3-oxazin-6-one
SMILESCC1=NC(N)C(N)C(=O)O1
InChIInChI=1S/C5H9N3O2/c1-2-8-4(7)3(6)5(9)10-2/h3-4H,6-7H2,1H3
InChIKeyNFSCRHLMPDJVDW-UHFFFAOYSA-N
MW143.15 g/mol
LogP-1.43
Rot. Bonds

About 4,5-diamino-2-methyl-4,5-dihydro-1,3-oxazin-6-one

4,5-diamino-2-methyl-4,5-dihydro-1,3-oxazin-6-one (PubChem CID 143871919) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 4,5-diamino-2-methyl-4,5-dihydro-1,3-oxazin-6-one.

Molecular Properties

Compound Name4,5-diamino-2-methyl-4,5-dihydro-1,3-oxazin-6-one
PubChem CID143871919
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name4,5-diamino-2-methyl-4,5-dihydro-1,3-oxazin-6-one
SMILESCC1=NC(N)C(N)C(=O)O1
InChIInChI=1S/C5H9N3O2/c1-2-8-4(7)3(6)5(9)10-2/h3-4H,6-7H2,1H3
InChIKeyNFSCRHLMPDJVDW-UHFFFAOYSA-N
XLogP-1.43
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-2-methyl-4,5-dihydro-1,3-oxazin-6-one?
The IUPAC name of 4,5-diamino-2-methyl-4,5-dihydro-1,3-oxazin-6-one (CID 143871919) is 4,5-diamino-2-methyl-4,5-dihydro-1,3-oxazin-6-one.
What is the SMILES notation for 4,5-diamino-2-methyl-4,5-dihydro-1,3-oxazin-6-one?
The canonical SMILES for 4,5-diamino-2-methyl-4,5-dihydro-1,3-oxazin-6-one is CC1=NC(N)C(N)C(=O)O1.
What is the InChIKey of 4,5-diamino-2-methyl-4,5-dihydro-1,3-oxazin-6-one?
The InChIKey is NFSCRHLMPDJVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-2-8-4(7)3(6)5(9)10-2/h3-4H,6-7H2,1H3.
What are the key properties of 4,5-diamino-2-methyl-4,5-dihydro-1,3-oxazin-6-one?
4,5-diamino-2-methyl-4,5-dihydro-1,3-oxazin-6-one has a molecular weight of 143.15 g/mol, XLogP of -1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-2-methyl-4,5-dihydro-1,3-oxazin-6-one is sourced from PubChem (CID 143871919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).