4-pentoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C12H19N3O — CID 81223650

IUPAC4-pentoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCCCCOc1ncnc2c1CNCC2
InChIInChI=1S/C12H19N3O/c1-2-3-4-7-16-12-10-8-13-6-5-11(10)14-9-15-12/h9,13H,2-8H2,1H3
InChIKeyMZGUPDBPHNLHNY-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.69
Rot. Bonds5

About 4-pentoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-pentoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 81223650) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-pentoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-pentoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID81223650
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-pentoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCCCCOc1ncnc2c1CNCC2
InChIInChI=1S/C12H19N3O/c1-2-3-4-7-16-12-10-8-13-6-5-11(10)14-9-15-12/h9,13H,2-8H2,1H3
InChIKeyMZGUPDBPHNLHNY-UHFFFAOYSA-N
XLogP1.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-pentoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine 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

4-(2-methoxyethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222865
4-(4-propoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81228728
4-decyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 106778698
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222869
4-(2,2,3,3,3-pentafluoropropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81223652
4-(2-butan-2-ylphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81228724
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 102722365
ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate
CID 56777005
4-(3-methoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222600
4-butoxy-2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 143219192
4-[3-(methoxymethyl)phenoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222870
N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 81223644

Frequently Asked Questions

What is the IUPAC name of 4-pentoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-pentoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 81223650) is 4-pentoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-pentoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-pentoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCCCCOc1ncnc2c1CNCC2.
What is the InChIKey of 4-pentoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is MZGUPDBPHNLHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-3-4-7-16-12-10-8-13-6-5-11(10)14-9-15-12/h9,13H,2-8H2,1H3.
What are the key properties of 4-pentoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-pentoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 221.30 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 81223650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).