3-(2-hydroxyethyl)-8-(2-methoxyethyl)-6-methylpyrido[3,4-d]pyrimidin-4-one

C13H17N3O3 — CID 156743136

IUPAC3-(2-hydroxyethyl)-8-(2-methoxyethyl)-6-methylpyrido[3,4-d]pyrimidin-4-one
SMILESCOCCc1nc(C)cc2c(=O)n(CCO)cnc12
InChIInChI=1S/C13H17N3O3/c1-9-7-10-12(11(15-9)3-6-19-2)14-8-16(4-5-17)13(10)18/h7-8,17H,3-6H2,1-2H3
InChIKeyGTZSLVLJNQZQIK-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.28
Rot. Bonds5

About 3-(2-hydroxyethyl)-8-(2-methoxyethyl)-6-methylpyrido[3,4-d]pyrimidin-4-one

3-(2-hydroxyethyl)-8-(2-methoxyethyl)-6-methylpyrido[3,4-d]pyrimidin-4-one (PubChem CID 156743136) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-8-(2-methoxyethyl)-6-methylpyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-8-(2-methoxyethyl)-6-methylpyrido[3,4-d]pyrimidin-4-one
PubChem CID156743136
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-(2-hydroxyethyl)-8-(2-methoxyethyl)-6-methylpyrido[3,4-d]pyrimidin-4-one
SMILESCOCCc1nc(C)cc2c(=O)n(CCO)cnc12
InChIInChI=1S/C13H17N3O3/c1-9-7-10-12(11(15-9)3-6-19-2)14-8-16(4-5-17)13(10)18/h7-8,17H,3-6H2,1-2H3
InChIKeyGTZSLVLJNQZQIK-UHFFFAOYSA-N
XLogP0.28
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one
CID 126898641
3-(2-hydroxyethyl)-7-methylquinazolin-4-one
CID 117264165
3-(2-methoxyethyl)-6-methylthieno[2,3-d]pyrimidin-4-one
CID 39760848
3-(2-hydroxyethyl)-7-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]quinazolin-4-one
CID 126898638
6-bromo-8-fluoro-3-[3-(2-methoxyethylsulfanyl)propyl]quinazolin-4-one
CID 154798356
3-(2-methoxyethyl)pyrido[4,3-d]pyrimidin-4-one
CID 39817833
3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171913415
6-(hydroxyamino)-3-(2-methoxyethyl)quinazolin-4-one
CID 162429544
3-(2-methoxyethyl)-7-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]quinazolin-4-one
CID 126899053
1-(2-methoxyethyl)-6-oxo-4-propylpyrimidine-5-carboxylic acid
CID 165477714
3-(2-hydroxyethyl)-7-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126898635
methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 43864511

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-8-(2-methoxyethyl)-6-methylpyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-8-(2-methoxyethyl)-6-methylpyrido[3,4-d]pyrimidin-4-one (CID 156743136) is 3-(2-hydroxyethyl)-8-(2-methoxyethyl)-6-methylpyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-8-(2-methoxyethyl)-6-methylpyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-8-(2-methoxyethyl)-6-methylpyrido[3,4-d]pyrimidin-4-one is COCCc1nc(C)cc2c(=O)n(CCO)cnc12.
What is the InChIKey of 3-(2-hydroxyethyl)-8-(2-methoxyethyl)-6-methylpyrido[3,4-d]pyrimidin-4-one?
The InChIKey is GTZSLVLJNQZQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-7-10-12(11(15-9)3-6-19-2)14-8-16(4-5-17)13(10)18/h7-8,17H,3-6H2,1-2H3.
What are the key properties of 3-(2-hydroxyethyl)-8-(2-methoxyethyl)-6-methylpyrido[3,4-d]pyrimidin-4-one?
3-(2-hydroxyethyl)-8-(2-methoxyethyl)-6-methylpyrido[3,4-d]pyrimidin-4-one has a molecular weight of 263.30 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-8-(2-methoxyethyl)-6-methylpyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 156743136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).