ethane;7-methoxy-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione

C11H15N3O3 — CID 166534222

IUPACethane;7-methoxy-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCC.COc1ncc2c(=O)[nH]c(=O)[nH]c2c1C
InChIInChI=1S/C9H9N3O3.C2H6/c1-4-6-5(3-10-8(4)15-2)7(13)12-9(14)11-6;1-2/h3H,1-2H3,(H2,11,12,13,14);1-2H3
InChIKeySBFLEFVTVUOWQC-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.95
Rot. Bonds1

About ethane;7-methoxy-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione

ethane;7-methoxy-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 166534222) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is ethane;7-methoxy-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Nameethane;7-methoxy-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID166534222
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Nameethane;7-methoxy-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCC.COc1ncc2c(=O)[nH]c(=O)[nH]c2c1C
InChIInChI=1S/C9H9N3O3.C2H6/c1-4-6-5(3-10-8(4)15-2)7(13)12-9(14)11-6;1-2/h3H,1-2H3,(H2,11,12,13,14);1-2H3
InChIKeySBFLEFVTVUOWQC-UHFFFAOYSA-N
XLogP0.95
TPSA87.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1,5-dihydropyrimido[5,4-d]pyrimidine-2,6,8-trione
CID 123748347
ethane;5-fluoro-2,4-dimethoxy-3-methylpyridine
CID 163252234
12-methoxy-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
CID 142642110
5-fluoro-2,4-dimethoxy-3-methylpyridine
CID 163252235
8-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-chloro-1H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 172734959
7-bromo-6-methoxy-2-methyl-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile
CID 166162066
4-bromo-2-methoxy-3,5-dimethylpyridine
CID 67811684
12-methoxy-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-4,6-dione;hydrochloride
CID 142642156
1H-pyrido[4,3-h]quinazoline-2,4-dione
CID 142642114
6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134668164
6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride
CID 139789848
3-methoxy-4-methyl-1H-1,8-naphthyridin-2-one
CID 68612137

Frequently Asked Questions

What is the IUPAC name of ethane;7-methoxy-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of ethane;7-methoxy-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione (CID 166534222) is ethane;7-methoxy-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for ethane;7-methoxy-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for ethane;7-methoxy-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione is CC.COc1ncc2c(=O)[nH]c(=O)[nH]c2c1C.
What is the InChIKey of ethane;7-methoxy-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is SBFLEFVTVUOWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3.C2H6/c1-4-6-5(3-10-8(4)15-2)7(13)12-9(14)11-6;1-2/h3H,1-2H3,(H2,11,12,13,14);1-2H3.
What are the key properties of ethane;7-methoxy-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione?
ethane;7-methoxy-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 237.26 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methoxy-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 166534222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).