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

C19H24N4O2 — CID 43865547

IUPAC3-cyclopropyl-7-ethyl-1-(2-methoxyphenyl)-8-methyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCCc1c(C)nc2n(c1=O)CN(C1CC1)CN2c1ccccc1OC
InChIInChI=1S/C19H24N4O2/c1-4-15-13(2)20-19-22(16-7-5-6-8-17(16)25-3)11-21(14-9-10-14)12-23(19)18(15)24/h5-8,14H,4,9-12H2,1-3H3
InChIKeyCVVJUQXOFIECPG-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.65
Rot. Bonds4

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

3-cyclopropyl-7-ethyl-1-(2-methoxyphenyl)-8-methyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (PubChem CID 43865547) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-cyclopropyl-7-ethyl-1-(2-methoxyphenyl)-8-methyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name3-cyclopropyl-7-ethyl-1-(2-methoxyphenyl)-8-methyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
PubChem CID43865547
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-cyclopropyl-7-ethyl-1-(2-methoxyphenyl)-8-methyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCCc1c(C)nc2n(c1=O)CN(C1CC1)CN2c1ccccc1OC
InChIInChI=1S/C19H24N4O2/c1-4-15-13(2)20-19-22(16-7-5-6-8-17(16)25-3)11-21(14-9-10-14)12-23(19)18(15)24/h5-8,14H,4,9-12H2,1-3H3
InChIKeyCVVJUQXOFIECPG-UHFFFAOYSA-N
XLogP2.65
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopentyl-7-ethyl-1-(2-methoxyphenyl)-8-methyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 66493415
7-benzyl-3-cyclohexyl-1-(2-methoxyphenyl)-8-methyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 66493355
3-cycloheptyl-1-(2-methoxyphenyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 66493368
3-cyclopentyl-7-ethyl-8-methyl-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 66492561
1-(2-methoxyphenyl)-7,8-dimethyl-3-(2-methylcyclohexyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 66493360
7-benzyl-3-(2-methoxyethyl)-1-(2-methoxyphenyl)-8-methyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 43865556
7-benzyl-3-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-8-methyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 66493282
7-ethyl-8-methyl-3-(2-methylcyclohexyl)-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 66492571
3-benzyl-1-(2,4-dimethylphenyl)-7-ethyl-8-methyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 66493666
3-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 66493377
3-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-1-(4-ethylphenyl)-8-methyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 66492815
7-benzyl-3-cyclopentyl-8-methyl-1-[3-(trifluoromethyl)phenyl]-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 66493374

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-ethyl-1-(2-methoxyphenyl)-8-methyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The IUPAC name of 3-cyclopropyl-7-ethyl-1-(2-methoxyphenyl)-8-methyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (CID 43865547) is 3-cyclopropyl-7-ethyl-1-(2-methoxyphenyl)-8-methyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 3-cyclopropyl-7-ethyl-1-(2-methoxyphenyl)-8-methyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 3-cyclopropyl-7-ethyl-1-(2-methoxyphenyl)-8-methyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is CCc1c(C)nc2n(c1=O)CN(C1CC1)CN2c1ccccc1OC.
What is the InChIKey of 3-cyclopropyl-7-ethyl-1-(2-methoxyphenyl)-8-methyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The InChIKey is CVVJUQXOFIECPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-4-15-13(2)20-19-22(16-7-5-6-8-17(16)25-3)11-21(14-9-10-14)12-23(19)18(15)24/h5-8,14H,4,9-12H2,1-3H3.
What are the key properties of 3-cyclopropyl-7-ethyl-1-(2-methoxyphenyl)-8-methyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
3-cyclopropyl-7-ethyl-1-(2-methoxyphenyl)-8-methyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one has a molecular weight of 340.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-ethyl-1-(2-methoxyphenyl)-8-methyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 43865547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).