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

C13H12ClN3 — CID 115006280

IUPAC2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESClc1ccc(-c2ncc3c(n2)CNCC3)cc1
InChIInChI=1S/C13H12ClN3/c14-11-3-1-9(2-4-11)13-16-7-10-5-6-15-8-12(10)17-13/h1-4,7,15H,5-6,8H2
InChIKeyHQIHCSLCRLUBCN-UHFFFAOYSA-N
MW245.71 g/mol
LogP2.44
Rot. Bonds1

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

2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 115006280) has the molecular formula C13H12ClN3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID115006280
Molecular FormulaC13H12ClN3
Molecular Weight245.71 g/mol
Exact Mass245.07
IUPAC Name2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESClc1ccc(-c2ncc3c(n2)CNCC3)cc1
InChIInChI=1S/C13H12ClN3/c14-11-3-1-9(2-4-11)13-16-7-10-5-6-15-8-12(10)17-13/h1-4,7,15H,5-6,8H2
InChIKeyHQIHCSLCRLUBCN-UHFFFAOYSA-N
XLogP2.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 115006280) is 2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is Clc1ccc(-c2ncc3c(n2)CNCC3)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is HQIHCSLCRLUBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3/c14-11-3-1-9(2-4-11)13-16-7-10-5-6-15-8-12(10)17-13/h1-4,7,15H,5-6,8H2.
What are the key properties of 2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 245.71 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 115006280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).