1-(4-ethoxyphenyl)-7-ethyl-8-methyl-3-propan-2-yl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

C20H28N4O2 — CID 66493137

IUPAC1-(4-ethoxyphenyl)-7-ethyl-8-methyl-3-propan-2-yl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCCOc1ccc(N2CN(C(C)C)Cn3c2nc(C)c(CC)c3=O)cc1
InChIInChI=1S/C20H28N4O2/c1-6-18-15(5)21-20-23(16-8-10-17(11-9-16)26-7-2)12-22(14(3)4)13-24(20)19(18)25/h8-11,14H,6-7,12-13H2,1-5H3
InChIKeyUXZOTJKVMFEKIL-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.29
Rot. Bonds5

About 1-(4-ethoxyphenyl)-7-ethyl-8-methyl-3-propan-2-yl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

1-(4-ethoxyphenyl)-7-ethyl-8-methyl-3-propan-2-yl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (PubChem CID 66493137) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-7-ethyl-8-methyl-3-propan-2-yl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-7-ethyl-8-methyl-3-propan-2-yl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
PubChem CID66493137
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-(4-ethoxyphenyl)-7-ethyl-8-methyl-3-propan-2-yl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCCOc1ccc(N2CN(C(C)C)Cn3c2nc(C)c(CC)c3=O)cc1
InChIInChI=1S/C20H28N4O2/c1-6-18-15(5)21-20-23(16-8-10-17(11-9-16)26-7-2)12-22(14(3)4)13-24(20)19(18)25/h8-11,14H,6-7,12-13H2,1-5H3
InChIKeyUXZOTJKVMFEKIL-UHFFFAOYSA-N
XLogP3.29
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-ethoxyphenyl)-7-ethyl-8-methyl-3-propan-2-yl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-7-ethyl-8-methyl-3-propan-2-yl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The IUPAC name of 1-(4-ethoxyphenyl)-7-ethyl-8-methyl-3-propan-2-yl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (CID 66493137) is 1-(4-ethoxyphenyl)-7-ethyl-8-methyl-3-propan-2-yl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-7-ethyl-8-methyl-3-propan-2-yl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-7-ethyl-8-methyl-3-propan-2-yl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is CCOc1ccc(N2CN(C(C)C)Cn3c2nc(C)c(CC)c3=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-7-ethyl-8-methyl-3-propan-2-yl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The InChIKey is UXZOTJKVMFEKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-6-18-15(5)21-20-23(16-8-10-17(11-9-16)26-7-2)12-22(14(3)4)13-24(20)19(18)25/h8-11,14H,6-7,12-13H2,1-5H3.
What are the key properties of 1-(4-ethoxyphenyl)-7-ethyl-8-methyl-3-propan-2-yl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
1-(4-ethoxyphenyl)-7-ethyl-8-methyl-3-propan-2-yl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one has a molecular weight of 356.47 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-7-ethyl-8-methyl-3-propan-2-yl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 66493137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).