3-benzyl-1-methyl-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione

C24H23N3O2 — CID 22509098

IUPAC3-benzyl-1-methyl-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(Cc3ccccc3)c1=O)CN(CC#Cc1ccccc1)CC2
InChIInChI=1S/C24H23N3O2/c1-25-22-14-16-26(15-8-13-19-9-4-2-5-10-19)18-21(22)23(28)27(24(25)29)17-20-11-6-3-7-12-20/h2-7,9-12H,14-18H2,1H3
InChIKeyOKMKAFFMOOUIDU-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.01
Rot. Bonds3

About 3-benzyl-1-methyl-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione

3-benzyl-1-methyl-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 22509098) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-benzyl-1-methyl-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-1-methyl-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID22509098
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name3-benzyl-1-methyl-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(Cc3ccccc3)c1=O)CN(CC#Cc1ccccc1)CC2
InChIInChI=1S/C24H23N3O2/c1-25-22-14-16-26(15-8-13-19-9-4-2-5-10-19)18-21(22)23(28)27(24(25)29)17-20-11-6-3-7-12-20/h2-7,9-12H,14-18H2,1H3
InChIKeyOKMKAFFMOOUIDU-UHFFFAOYSA-N
XLogP2.01
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-methyl-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-benzyl-1-methyl-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione (CID 22509098) is 3-benzyl-1-methyl-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzyl-1-methyl-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-benzyl-1-methyl-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione is Cn1c2c(c(=O)n(Cc3ccccc3)c1=O)CN(CC#Cc1ccccc1)CC2.
What is the InChIKey of 3-benzyl-1-methyl-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is OKMKAFFMOOUIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-25-22-14-16-26(15-8-13-19-9-4-2-5-10-19)18-21(22)23(28)27(24(25)29)17-20-11-6-3-7-12-20/h2-7,9-12H,14-18H2,1H3.
What are the key properties of 3-benzyl-1-methyl-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
3-benzyl-1-methyl-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 385.47 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-methyl-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 22509098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).