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

C10H11N3O4 — CID 87850813

IUPACN-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCC1(C)OC=Cn2c1nc(C(=O)NO)cc2=O
InChIInChI=1S/C10H11N3O4/c1-10(2)9-11-6(8(15)12-16)5-7(14)13(9)3-4-17-10/h3-5,16H,1-2H3,(H,12,15)
InChIKeyQYOVQPJLLKCQMQ-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.06
Rot. Bonds1

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

N-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 87850813) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is N-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID87850813
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC NameN-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCC1(C)OC=Cn2c1nc(C(=O)NO)cc2=O
InChIInChI=1S/C10H11N3O4/c1-10(2)9-11-6(8(15)12-16)5-7(14)13(9)3-4-17-10/h3-5,16H,1-2H3,(H,12,15)
InChIKeyQYOVQPJLLKCQMQ-UHFFFAOYSA-N
XLogP0.06
TPSA93.45 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 ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 87850813) is N-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide is CC1(C)OC=Cn2c1nc(C(=O)NO)cc2=O.
What is the InChIKey of N-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is QYOVQPJLLKCQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-10(2)9-11-6(8(15)12-16)5-7(14)13(9)3-4-17-10/h3-5,16H,1-2H3,(H,12,15).
What are the key properties of N-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide?
N-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 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 87850813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).