3-[3-(2-methoxyethoxy)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C13H21N3O3 — CID 103483925

IUPAC3-[3-(2-methoxyethoxy)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOCCOCCCn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C13H21N3O3/c1-18-7-8-19-6-2-5-16-10-15-12-9-14-4-3-11(12)13(16)17/h10,14H,2-9H2,1H3
InChIKeyBVEGGZGUYNUDKV-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.06
Rot. Bonds7

About 3-[3-(2-methoxyethoxy)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

3-[3-(2-methoxyethoxy)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 103483925) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID103483925
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[3-(2-methoxyethoxy)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOCCOCCCn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C13H21N3O3/c1-18-7-8-19-6-2-5-16-10-15-12-9-14-4-3-11(12)13(16)17/h10,14H,2-9H2,1H3
InChIKeyBVEGGZGUYNUDKV-UHFFFAOYSA-N
XLogP-0.06
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[3-(2-methoxyethoxy)propyl]-5,6,7,8-tetrahydropyrido[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

7-acetyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 136380778
tert-butyl 4-hydroxy-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 135741723
3-methyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 75480674
3-[3-(2,2,2-Trifluoroethoxy)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483587
3-[2-(2,2,2-Trifluoroethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483902
7-(2-propoxypropanoyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136112902
3-Tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 83883373
7-Methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136162888
Butyl 4-hydroxy-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate
CID 137198209
7-Ethyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137263249
3-ethyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 75480675
3-propyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 75480676

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[3-(2-methoxyethoxy)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 103483925) is 3-[3-(2-methoxyethoxy)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[3-(2-methoxyethoxy)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is COCCOCCCn1cnc2c(c1=O)CCNC2.
What is the InChIKey of 3-[3-(2-methoxyethoxy)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is BVEGGZGUYNUDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-18-7-8-19-6-2-5-16-10-15-12-9-14-4-3-11(12)13(16)17/h10,14H,2-9H2,1H3.
What are the key properties of 3-[3-(2-methoxyethoxy)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-[3-(2-methoxyethoxy)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 267.33 g/mol, XLogP of -0.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 103483925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).