6-benzyl-4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C15H15Cl2N3 — CID 81217160

IUPAC6-benzyl-4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClCc1nc(Cl)c2c(n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C15H15Cl2N3/c16-8-14-18-13-6-7-20(10-12(13)15(17)19-14)9-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyPLQNWKLFCGUQFE-UHFFFAOYSA-N
MW308.21 g/mol
LogP3.43
Rot. Bonds3

About 6-benzyl-4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-benzyl-4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 81217160) has the molecular formula C15H15Cl2N3 and a molecular weight of 308.21 g/mol. Its IUPAC name is 6-benzyl-4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-benzyl-4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID81217160
Molecular FormulaC15H15Cl2N3
Molecular Weight308.21 g/mol
Exact Mass307.06
IUPAC Name6-benzyl-4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClCc1nc(Cl)c2c(n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C15H15Cl2N3/c16-8-14-18-13-6-7-20(10-12(13)15(17)19-14)9-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyPLQNWKLFCGUQFE-UHFFFAOYSA-N
XLogP3.43
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-benzyl-4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 81217160) is 6-benzyl-4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-benzyl-4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-benzyl-4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is ClCc1nc(Cl)c2c(n1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 6-benzyl-4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is PLQNWKLFCGUQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3/c16-8-14-18-13-6-7-20(10-12(13)15(17)19-14)9-11-4-2-1-3-5-11/h1-5H,6-10H2.
What are the key properties of 6-benzyl-4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-benzyl-4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 308.21 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 81217160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).