9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

C10H13N3O3 — CID 90770449

IUPAC9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCC1(C)OCCn2c1nc(C(N)=O)cc2=O
InChIInChI=1S/C10H13N3O3/c1-10(2)9-12-6(8(11)15)5-7(14)13(9)3-4-16-10/h5H,3-4H2,1-2H3,(H2,11,15)
InChIKeyXYWIXERRUBULPP-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.39
Rot. Bonds1

About 9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 90770449) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID90770449
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCC1(C)OCCn2c1nc(C(N)=O)cc2=O
InChIInChI=1S/C10H13N3O3/c1-10(2)9-12-6(8(11)15)5-7(14)13(9)3-4-16-10/h5H,3-4H2,1-2H3,(H2,11,15)
InChIKeyXYWIXERRUBULPP-UHFFFAOYSA-N
XLogP-0.39
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Butoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 68219092
N-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 87850813
N,N-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 90871963
4,6,7,9-Tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 90903104
4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 91135937
9,9-Dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 91380049
9,9-Dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
CID 91584933
1-Methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
CID 141087183
10,10-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-2-carboxamide
CID 143469164
1-Methyl-2-(2-morpholin-4-ylethyl)-6-oxopyrimidine-4-carboxamide
CID 150229737
9-ethyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 151334078
3,6-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 154307277

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of 9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 90770449) is 9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for 9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is CC1(C)OCCn2c1nc(C(N)=O)cc2=O.
What is the InChIKey of 9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is XYWIXERRUBULPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-10(2)9-12-6(8(11)15)5-7(14)13(9)3-4-16-10/h5H,3-4H2,1-2H3,(H2,11,15).
What are the key properties of 9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 223.23 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 90770449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).