2-(2,3-dihydroindol-1-yl)-4-(3-hydroxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

C21H19N5O2 — CID 135727343

IUPAC2-(2,3-dihydroindol-1-yl)-4-(3-hydroxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCc1cc(=O)n2c(n1)NC(N1CCc3ccccc31)=NC2c1cccc(O)c1
InChIInChI=1S/C21H19N5O2/c1-13-11-18(28)26-19(15-6-4-7-16(27)12-15)23-20(24-21(26)22-13)25-10-9-14-5-2-3-8-17(14)25/h2-8,11-12,19,27H,9-10H2,1H3,(H,22,23,24)
InChIKeyQJUAFCMUDHEEDV-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.65
Rot. Bonds1

About 2-(2,3-dihydroindol-1-yl)-4-(3-hydroxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

2-(2,3-dihydroindol-1-yl)-4-(3-hydroxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (PubChem CID 135727343) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-4-(3-hydroxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-4-(3-hydroxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
PubChem CID135727343
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name2-(2,3-dihydroindol-1-yl)-4-(3-hydroxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCc1cc(=O)n2c(n1)NC(N1CCc3ccccc31)=NC2c1cccc(O)c1
InChIInChI=1S/C21H19N5O2/c1-13-11-18(28)26-19(15-6-4-7-16(27)12-15)23-20(24-21(26)22-13)25-10-9-14-5-2-3-8-17(14)25/h2-8,11-12,19,27H,9-10H2,1H3,(H,22,23,24)
InChIKeyQJUAFCMUDHEEDV-UHFFFAOYSA-N
XLogP2.65
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(4S)-2-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 136861383
(4R)-2-(2,3-dihydroindol-1-yl)-4-(2-hydroxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 136768789
4-(2,4-dichlorophenyl)-2-(2,3-dihydroindol-1-yl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 135652834
8-methyl-2-(4-phenylpiperazin-1-yl)-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 135645235
(4R)-4-(2-hydroxyphenyl)-8-methyl-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 136768747
(4R)-4-(2-hydroxyphenyl)-8-methyl-2-piperidin-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 136800632
(4R)-8-methyl-4-(4-methylphenyl)-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 136774632
(4R)-4-(4-chlorophenyl)-8-methyl-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 136824244
(4S)-4-(4-chlorophenyl)-8-methyl-2-piperidin-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 135896482
(4R)-2-anilino-8-methyl-4-phenyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 135774885
(4S)-4-[4-(dimethylamino)phenyl]-8-methyl-2-piperidin-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 136823972
8-methyl-2-(4-methylanilino)-4-phenyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 666579

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-4-(3-hydroxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-4-(3-hydroxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (CID 135727343) is 2-(2,3-dihydroindol-1-yl)-4-(3-hydroxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-4-(3-hydroxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-4-(3-hydroxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is Cc1cc(=O)n2c(n1)NC(N1CCc3ccccc31)=NC2c1cccc(O)c1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-4-(3-hydroxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The InChIKey is QJUAFCMUDHEEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-13-11-18(28)26-19(15-6-4-7-16(27)12-15)23-20(24-21(26)22-13)25-10-9-14-5-2-3-8-17(14)25/h2-8,11-12,19,27H,9-10H2,1H3,(H,22,23,24).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-4-(3-hydroxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
2-(2,3-dihydroindol-1-yl)-4-(3-hydroxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one has a molecular weight of 373.42 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-4-(3-hydroxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 135727343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).