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

C14H15N3O — CID 115006286

IUPAC2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCOc1cccc(-c2ncc3c(n2)CNCC3)c1
InChIInChI=1S/C14H15N3O/c1-18-12-4-2-3-10(7-12)14-16-8-11-5-6-15-9-13(11)17-14/h2-4,7-8,15H,5-6,9H2,1H3
InChIKeyQVXRCPSVUDPJIC-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.80
Rot. Bonds2

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

2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 115006286) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID115006286
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCOc1cccc(-c2ncc3c(n2)CNCC3)c1
InChIInChI=1S/C14H15N3O/c1-18-12-4-2-3-10(7-12)14-16-8-11-5-6-15-9-13(11)17-14/h2-4,7-8,15H,5-6,9H2,1H3
InChIKeyQVXRCPSVUDPJIC-UHFFFAOYSA-N
XLogP1.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-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-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742485
2-(3-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 62009055
2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115006280
2-(3-methoxyphenyl)-5-methylpyrimidine
CID 121432653
2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine
CID 66706175
3-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
CID 84647307
N-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009305
6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline
CID 56865850
2-(3-methoxyphenyl)-4-methylpyrimidine-5-carbaldehyde
CID 82288198
2-[4-methoxy-2-(3-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 117225486
2-(3-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 72698971
2-(3-methoxyphenyl)-N-methylpyrimidin-5-amine
CID 83886658

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 115006286) is 2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is COc1cccc(-c2ncc3c(n2)CNCC3)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is QVXRCPSVUDPJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-18-12-4-2-3-10(7-12)14-16-8-11-5-6-15-9-13(11)17-14/h2-4,7-8,15H,5-6,9H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 241.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 115006286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).