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

C14H14ClN3O — CID 28903971

IUPAC2-[(2-chlorophenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESClc1ccccc1OCc1ncc2c(n1)CCNC2
InChIInChI=1S/C14H14ClN3O/c15-11-3-1-2-4-13(11)19-9-14-17-8-10-7-16-6-5-12(10)18-14/h1-4,8,16H,5-7,9H2
InChIKeyAHZAGQPQFAEMSB-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.35
Rot. Bonds3

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

2-[(2-chlorophenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 28903971) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID28903971
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name2-[(2-chlorophenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESClc1ccccc1OCc1ncc2c(n1)CCNC2
InChIInChI=1S/C14H14ClN3O/c15-11-3-1-2-4-13(11)19-9-14-17-8-10-7-16-6-5-12(10)18-14/h1-4,8,16H,5-7,9H2
InChIKeyAHZAGQPQFAEMSB-UHFFFAOYSA-N
XLogP2.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-chlorophenoxy)methyl]-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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 28903971) is 2-[(2-chlorophenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is Clc1ccccc1OCc1ncc2c(n1)CCNC2.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is AHZAGQPQFAEMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-11-3-1-2-4-13(11)19-9-14-17-8-10-7-16-6-5-12(10)18-14/h1-4,8,16H,5-7,9H2.
What are the key properties of 2-[(2-chlorophenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-[(2-chlorophenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 275.74 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 28903971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).