4-(2-ethoxyphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C20H20N4O — CID 121456189

IUPAC4-(2-ethoxyphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCOc1ccccc1-c1nc(-c2ccccn2)nc2c1CNCC2
InChIInChI=1S/C20H20N4O/c1-2-25-18-9-4-3-7-14(18)19-15-13-21-12-10-16(15)23-20(24-19)17-8-5-6-11-22-17/h3-9,11,21H,2,10,12-13H2,1H3
InChIKeyCAEOABXCWZWTBO-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.25
Rot. Bonds4

About 4-(2-ethoxyphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-(2-ethoxyphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 121456189) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID121456189
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name4-(2-ethoxyphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCOc1ccccc1-c1nc(-c2ccccn2)nc2c1CNCC2
InChIInChI=1S/C20H20N4O/c1-2-25-18-9-4-3-7-14(18)19-15-13-21-12-10-16(15)23-20(24-19)17-8-5-6-11-22-17/h3-9,11,21H,2,10,12-13H2,1H3
InChIKeyCAEOABXCWZWTBO-UHFFFAOYSA-N
XLogP3.25
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-ethoxyphenyl)-2-pyridin-2-yl-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-ethoxyphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 71276634
methyl 2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738174
4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 79023920
4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride
CID 71298613
4-(2-ethoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222427
2-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351905
4-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738589
N-[1-(2-methoxyphenyl)propyl]-N-methyl-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 167797977
N-ethyl-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351510
2-(3-ethoxynaphthalen-2-yl)pyridine
CID 132851347
3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole
CID 61277730
4-(4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)oxybenzonitrile
CID 168770758

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(2-ethoxyphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 121456189) is 4-(2-ethoxyphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(2-ethoxyphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(2-ethoxyphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCOc1ccccc1-c1nc(-c2ccccn2)nc2c1CNCC2.
What is the InChIKey of 4-(2-ethoxyphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is CAEOABXCWZWTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-2-25-18-9-4-3-7-14(18)19-15-13-21-12-10-16(15)23-20(24-19)17-8-5-6-11-22-17/h3-9,11,21H,2,10,12-13H2,1H3.
What are the key properties of 4-(2-ethoxyphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(2-ethoxyphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 332.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 121456189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).