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

C17H21N3 — CID 114742724

IUPAC2-benzyl-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCCc1nc(Cc2ccccc2)nc2c1CCNC2
InChIInChI=1S/C17H21N3/c1-2-6-15-14-9-10-18-12-16(14)20-17(19-15)11-13-7-4-3-5-8-13/h3-5,7-8,18H,2,6,9-12H2,1H3
InChIKeyRLUYOXQOYFJJKI-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.67
Rot. Bonds4

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

2-benzyl-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 114742724) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-benzyl-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-benzyl-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID114742724
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-benzyl-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCCc1nc(Cc2ccccc2)nc2c1CCNC2
InChIInChI=1S/C17H21N3/c1-2-6-15-14-9-10-18-12-16(14)20-17(19-15)11-13-7-4-3-5-8-13/h3-5,7-8,18H,2,6,9-12H2,1H3
InChIKeyRLUYOXQOYFJJKI-UHFFFAOYSA-N
XLogP2.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-4-propyl-5,6,7,8-tetrahydropyrido[3,4-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

Related Compounds

2-[(3-fluorophenyl)methyl]-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742588
2,4-dipropyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742569
2-[(4-chlorophenyl)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742421
2-[(4-methoxyphenyl)methyl]-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741105
4-methyl-2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742125
2-(4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742681
2-benzyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741385
4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742459
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742711
2-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114743002
2-[(3-chlorophenyl)methyl]-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740703
2-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114742936

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-benzyl-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 114742724) is 2-benzyl-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-benzyl-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-benzyl-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is CCCc1nc(Cc2ccccc2)nc2c1CCNC2.
What is the InChIKey of 2-benzyl-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is RLUYOXQOYFJJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-6-15-14-9-10-18-12-16(14)20-17(19-15)11-13-7-4-3-5-8-13/h3-5,7-8,18H,2,6,9-12H2,1H3.
What are the key properties of 2-benzyl-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-benzyl-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 267.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 114742724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).