3-butan-2-yl-6-methylpyrimido[4,5-e][1,3]oxazine-2,4-dione

C11H13N3O3 — CID 145471958

IUPAC3-butan-2-yl-6-methylpyrimido[4,5-e][1,3]oxazine-2,4-dione
SMILESCCC(C)n1c(=O)oc2cnc(C)nc2c1=O
InChIInChI=1S/C11H13N3O3/c1-4-6(2)14-10(15)9-8(17-11(14)16)5-12-7(3)13-9/h5-6H,4H2,1-3H3
InChIKeyNMZYXHPREWKEIX-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.02
Rot. Bonds2

About 3-butan-2-yl-6-methylpyrimido[4,5-e][1,3]oxazine-2,4-dione

3-butan-2-yl-6-methylpyrimido[4,5-e][1,3]oxazine-2,4-dione (PubChem CID 145471958) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-butan-2-yl-6-methylpyrimido[4,5-e][1,3]oxazine-2,4-dione.

Molecular Properties

Compound Name3-butan-2-yl-6-methylpyrimido[4,5-e][1,3]oxazine-2,4-dione
PubChem CID145471958
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-butan-2-yl-6-methylpyrimido[4,5-e][1,3]oxazine-2,4-dione
SMILESCCC(C)n1c(=O)oc2cnc(C)nc2c1=O
InChIInChI=1S/C11H13N3O3/c1-4-6(2)14-10(15)9-8(17-11(14)16)5-12-7(3)13-9/h5-6H,4H2,1-3H3
InChIKeyNMZYXHPREWKEIX-UHFFFAOYSA-N
XLogP1.02
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-6-methylpyrimido[4,5-e][1,3]oxazine-2,4-dione?
The IUPAC name of 3-butan-2-yl-6-methylpyrimido[4,5-e][1,3]oxazine-2,4-dione (CID 145471958) is 3-butan-2-yl-6-methylpyrimido[4,5-e][1,3]oxazine-2,4-dione.
What is the SMILES notation for 3-butan-2-yl-6-methylpyrimido[4,5-e][1,3]oxazine-2,4-dione?
The canonical SMILES for 3-butan-2-yl-6-methylpyrimido[4,5-e][1,3]oxazine-2,4-dione is CCC(C)n1c(=O)oc2cnc(C)nc2c1=O.
What is the InChIKey of 3-butan-2-yl-6-methylpyrimido[4,5-e][1,3]oxazine-2,4-dione?
The InChIKey is NMZYXHPREWKEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-4-6(2)14-10(15)9-8(17-11(14)16)5-12-7(3)13-9/h5-6H,4H2,1-3H3.
What are the key properties of 3-butan-2-yl-6-methylpyrimido[4,5-e][1,3]oxazine-2,4-dione?
3-butan-2-yl-6-methylpyrimido[4,5-e][1,3]oxazine-2,4-dione has a molecular weight of 235.24 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-6-methylpyrimido[4,5-e][1,3]oxazine-2,4-dione is sourced from PubChem (CID 145471958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).