1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

C19H26N4O2 — CID 66493195

IUPAC1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCOCCN1CN(c2ccc(C)c(C)c2)c2nc(C)c(C)c(=O)n2C1
InChIInChI=1S/C19H26N4O2/c1-13-6-7-17(10-14(13)2)22-11-21(8-9-25-5)12-23-18(24)15(3)16(4)20-19(22)23/h6-7,10H,8-9,11-12H2,1-5H3
InChIKeyJGEUUBOFNCOQTP-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.49
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (PubChem CID 66493195) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
PubChem CID66493195
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCOCCN1CN(c2ccc(C)c(C)c2)c2nc(C)c(C)c(=O)n2C1
InChIInChI=1S/C19H26N4O2/c1-13-6-7-17(10-14(13)2)22-11-21(8-9-25-5)12-23-18(24)15(3)16(4)20-19(22)23/h6-7,10H,8-9,11-12H2,1-5H3
InChIKeyJGEUUBOFNCOQTP-UHFFFAOYSA-N
XLogP2.49
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (CID 66493195) is 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is COCCN1CN(c2ccc(C)c(C)c2)c2nc(C)c(C)c(=O)n2C1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The InChIKey is JGEUUBOFNCOQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-6-7-17(10-14(13)2)22-11-21(8-9-25-5)12-23-18(24)15(3)16(4)20-19(22)23/h6-7,10H,8-9,11-12H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one has a molecular weight of 342.44 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 66493195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).