8-benzyl-4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C15H16ClN3 — CID 87999721

IUPAC8-benzyl-4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCc1nc(Cl)c2c(n1)C(Cc1ccccc1)NCC2
InChIInChI=1S/C15H16ClN3/c1-10-18-14-12(15(16)19-10)7-8-17-13(14)9-11-5-3-2-4-6-11/h2-6,13,17H,7-9H2,1H3
InChIKeyYNSFIFPVRFSQIY-UHFFFAOYSA-N
MW273.77 g/mol
LogP2.87
Rot. Bonds2

About 8-benzyl-4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

8-benzyl-4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 87999721) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 8-benzyl-4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name8-benzyl-4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID87999721
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name8-benzyl-4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCc1nc(Cl)c2c(n1)C(Cc1ccccc1)NCC2
InChIInChI=1S/C15H16ClN3/c1-10-18-14-12(15(16)19-10)7-8-17-13(14)9-11-5-3-2-4-6-11/h2-6,13,17H,7-9H2,1H3
InChIKeyYNSFIFPVRFSQIY-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 8-benzyl-4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 87999721) is 8-benzyl-4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 8-benzyl-4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 8-benzyl-4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is Cc1nc(Cl)c2c(n1)C(Cc1ccccc1)NCC2.
What is the InChIKey of 8-benzyl-4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is YNSFIFPVRFSQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-10-18-14-12(15(16)19-10)7-8-17-13(14)9-11-5-3-2-4-6-11/h2-6,13,17H,7-9H2,1H3.
What are the key properties of 8-benzyl-4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
8-benzyl-4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 273.77 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 87999721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).