6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C14H14ClN3 — CID 25324046

IUPAC6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1ncnc2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C14H14ClN3/c15-14-12-9-18(7-6-13(12)16-10-17-14)8-11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChIKeyRPJAAZOTUXKSEV-UHFFFAOYSA-N
MW259.74 g/mol
LogP2.69
Rot. Bonds2

About 6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 25324046) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID25324046
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1ncnc2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C14H14ClN3/c15-14-12-9-18(7-6-13(12)16-10-17-14)8-11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChIKeyRPJAAZOTUXKSEV-UHFFFAOYSA-N
XLogP2.69
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 25324046) is 6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Clc1ncnc2c1CN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is RPJAAZOTUXKSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c15-14-12-9-18(7-6-13(12)16-10-17-14)8-11-4-2-1-3-5-11/h1-5,10H,6-9H2.
What are the key properties of 6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 259.74 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 25324046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).