1-methyl-3-[2-(methylaminooxy)propan-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione

C12H16N4O3 — CID 134536405

IUPAC1-methyl-3-[2-(methylaminooxy)propan-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCNOC(C)(C)n1c(=O)c2cccnc2n(C)c1=O
InChIInChI=1S/C12H16N4O3/c1-12(2,19-13-3)16-10(17)8-6-5-7-14-9(8)15(4)11(16)18/h5-7,13H,1-4H3
InChIKeySVYFKTBGMNDEKK-UHFFFAOYSA-N
MW264.29 g/mol
LogP-0.06
Rot. Bonds3

About 1-methyl-3-[2-(methylaminooxy)propan-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione

1-methyl-3-[2-(methylaminooxy)propan-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 134536405) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-methyl-3-[2-(methylaminooxy)propan-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[2-(methylaminooxy)propan-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID134536405
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC Name1-methyl-3-[2-(methylaminooxy)propan-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCNOC(C)(C)n1c(=O)c2cccnc2n(C)c1=O
InChIInChI=1S/C12H16N4O3/c1-12(2,19-13-3)16-10(17)8-6-5-7-14-9(8)15(4)11(16)18/h5-7,13H,1-4H3
InChIKeySVYFKTBGMNDEKK-UHFFFAOYSA-N
XLogP-0.06
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 146615670
4-hydroxy-1,3-dimethyl-1,8-naphthyridin-2-one
CID 54702806
2-methoxy-4-methylpyrido[2,3-b]pyrazin-3-one
CID 90362861
2,4-dimethylpyrido[2,3-b]pyrazin-3-one;ethane
CID 90706892
2,5-dimethyl-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one
CID 132576053
2-hydrazinyl-4-methylpyrido[2,3-b]pyrazin-3-one
CID 71786184
1-methyl-3-oxopyrazolo[3,4-b]pyridine-2-carboxylic acid
CID 141185183
4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carbaldehyde
CID 86730915
N-(3-methoxypropyl)-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189744
4-methylpyrido[2,3-e][1,2,4]triazin-3-one
CID 59061424
9-methylpyrido[2,3-b]indole
CID 12596580
13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione
CID 135513699

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(methylaminooxy)propan-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-3-[2-(methylaminooxy)propan-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 134536405) is 1-methyl-3-[2-(methylaminooxy)propan-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-[2-(methylaminooxy)propan-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-3-[2-(methylaminooxy)propan-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione is CNOC(C)(C)n1c(=O)c2cccnc2n(C)c1=O.
What is the InChIKey of 1-methyl-3-[2-(methylaminooxy)propan-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is SVYFKTBGMNDEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-12(2,19-13-3)16-10(17)8-6-5-7-14-9(8)15(4)11(16)18/h5-7,13H,1-4H3.
What are the key properties of 1-methyl-3-[2-(methylaminooxy)propan-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
1-methyl-3-[2-(methylaminooxy)propan-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 264.29 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(methylaminooxy)propan-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 134536405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).