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

C24H28N4O2 — CID 66492785

IUPAC7-ethyl-1-(4-methoxyphenyl)-8-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCCc1c(C)nc2n(c1=O)CN(Cc1ccc(C)cc1)CN2c1ccc(OC)cc1
InChIInChI=1S/C24H28N4O2/c1-5-22-18(3)25-24-27(20-10-12-21(30-4)13-11-20)15-26(16-28(24)23(22)29)14-19-8-6-17(2)7-9-19/h6-13H,5,14-16H2,1-4H3
InChIKeyMBDSDANREUXWPO-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.00
Rot. Bonds5

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

7-ethyl-1-(4-methoxyphenyl)-8-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (PubChem CID 66492785) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 7-ethyl-1-(4-methoxyphenyl)-8-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name7-ethyl-1-(4-methoxyphenyl)-8-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
PubChem CID66492785
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name7-ethyl-1-(4-methoxyphenyl)-8-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCCc1c(C)nc2n(c1=O)CN(Cc1ccc(C)cc1)CN2c1ccc(OC)cc1
InChIInChI=1S/C24H28N4O2/c1-5-22-18(3)25-24-27(20-10-12-21(30-4)13-11-20)15-26(16-28(24)23(22)29)14-19-8-6-17(2)7-9-19/h6-13H,5,14-16H2,1-4H3
InChIKeyMBDSDANREUXWPO-UHFFFAOYSA-N
XLogP4.00
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-(4-methoxyphenyl)-8-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The IUPAC name of 7-ethyl-1-(4-methoxyphenyl)-8-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (CID 66492785) is 7-ethyl-1-(4-methoxyphenyl)-8-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 7-ethyl-1-(4-methoxyphenyl)-8-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 7-ethyl-1-(4-methoxyphenyl)-8-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is CCc1c(C)nc2n(c1=O)CN(Cc1ccc(C)cc1)CN2c1ccc(OC)cc1.
What is the InChIKey of 7-ethyl-1-(4-methoxyphenyl)-8-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The InChIKey is MBDSDANREUXWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-5-22-18(3)25-24-27(20-10-12-21(30-4)13-11-20)15-26(16-28(24)23(22)29)14-19-8-6-17(2)7-9-19/h6-13H,5,14-16H2,1-4H3.
What are the key properties of 7-ethyl-1-(4-methoxyphenyl)-8-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
7-ethyl-1-(4-methoxyphenyl)-8-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one has a molecular weight of 404.51 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-(4-methoxyphenyl)-8-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 66492785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).