2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one

C13H19N3O3 — CID 136941536

IUPAC2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCOC1(c2nc3c(c(=O)[nH]2)CCNC3)CCOCC1
InChIInChI=1S/C13H19N3O3/c1-18-13(3-6-19-7-4-13)12-15-10-8-14-5-2-9(10)11(17)16-12/h14H,2-8H2,1H3,(H,15,16,17)
InChIKeyBWHFUICYSKAIBO-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.07
Rot. Bonds2

About 2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one

2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136941536) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136941536
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCOC1(c2nc3c(c(=O)[nH]2)CCNC3)CCOCC1
InChIInChI=1S/C13H19N3O3/c1-18-13(3-6-19-7-4-13)12-15-10-8-14-5-2-9(10)11(17)16-12/h14H,2-8H2,1H3,(H,15,16,17)
InChIKeyBWHFUICYSKAIBO-UHFFFAOYSA-N
XLogP0.07
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-7-(oxane-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136102640
4-methyl-5-[2-(methylamino)ethyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 136314907
2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941031
2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941082
2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941127
2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941195
2-(4-Ethoxyoxan-4-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941247
2-(4-Methoxyoxan-4-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941299
2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941485
2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941486
2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941500
2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941505

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136941536) is 2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is COC1(c2nc3c(c(=O)[nH]2)CCNC3)CCOCC1.
What is the InChIKey of 2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is BWHFUICYSKAIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-18-13(3-6-19-7-4-13)12-15-10-8-14-5-2-9(10)11(17)16-12/h14H,2-8H2,1H3,(H,15,16,17).
What are the key properties of 2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 265.31 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).