3-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide

C10H11N3O4 — CID 69478616

IUPAC3-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCC1(C)OC=Cn2c1nc(C(N)=O)c(O)c2=O
InChIInChI=1S/C10H11N3O4/c1-10(2)9-12-5(7(11)15)6(14)8(16)13(9)3-4-17-10/h3-4,14H,1-2H3,(H2,11,15)
InChIKeyDHXDFVUOYMUPPL-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.26
Rot. Bonds1

About 3-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide

3-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 69478616) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is 3-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID69478616
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name3-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCC1(C)OC=Cn2c1nc(C(N)=O)c(O)c2=O
InChIInChI=1S/C10H11N3O4/c1-10(2)9-12-5(7(11)15)6(14)8(16)13(9)3-4-17-10/h3-4,14H,1-2H3,(H2,11,15)
InChIKeyDHXDFVUOYMUPPL-UHFFFAOYSA-N
XLogP-0.26
TPSA107.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of 3-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 69478616) is 3-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for 3-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide is CC1(C)OC=Cn2c1nc(C(N)=O)c(O)c2=O.
What is the InChIKey of 3-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is DHXDFVUOYMUPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-10(2)9-12-5(7(11)15)6(14)8(16)13(9)3-4-17-10/h3-4,14H,1-2H3,(H2,11,15).
What are the key properties of 3-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide?
3-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 237.22 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 69478616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).