3-(dimethylamino)-N-[[8-(4-fluorophenyl)-6-methyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl]methyl]-N-methylpropanamide

C19H22FN7O3 — CID 67307633

IUPAC3-(dimethylamino)-N-[[8-(4-fluorophenyl)-6-methyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl]methyl]-N-methylpropanamide
SMILESCN(C)CCC(=O)N(C)Cc1nnc2c(n1)c(=O)n(C)c(=O)n2-c1ccc(F)cc1
InChIInChI=1S/C19H22FN7O3/c1-24(2)10-9-15(28)25(3)11-14-21-16-17(23-22-14)27(19(30)26(4)18(16)29)13-7-5-12(20)6-8-13/h5-8H,9-11H2,1-4H3
InChIKeyOPYVZWDHPICXNH-UHFFFAOYSA-N
MW415.43 g/mol
LogP-0.08
Rot. Bonds6

About 3-(dimethylamino)-N-[[8-(4-fluorophenyl)-6-methyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl]methyl]-N-methylpropanamide

3-(dimethylamino)-N-[[8-(4-fluorophenyl)-6-methyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl]methyl]-N-methylpropanamide (PubChem CID 67307633) has the molecular formula C19H22FN7O3 and a molecular weight of 415.43 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[[8-(4-fluorophenyl)-6-methyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl]methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[[8-(4-fluorophenyl)-6-methyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl]methyl]-N-methylpropanamide
PubChem CID67307633
Molecular FormulaC19H22FN7O3
Molecular Weight415.43 g/mol
Exact Mass415.18
IUPAC Name3-(dimethylamino)-N-[[8-(4-fluorophenyl)-6-methyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl]methyl]-N-methylpropanamide
SMILESCN(C)CCC(=O)N(C)Cc1nnc2c(n1)c(=O)n(C)c(=O)n2-c1ccc(F)cc1
InChIInChI=1S/C19H22FN7O3/c1-24(2)10-9-15(28)25(3)11-14-21-16-17(23-22-14)27(19(30)26(4)18(16)29)13-7-5-12(20)6-8-13/h5-8H,9-11H2,1-4H3
InChIKeyOPYVZWDHPICXNH-UHFFFAOYSA-N
XLogP-0.08
TPSA106.22 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-(dimethylamino)-N-[[8-(4-fluorophenyl)-6-methyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl]methyl]-N-methylpropanamide with MolForge

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Related Compounds

7-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CID 1116249
9-(4-fluorophenyl)-1,3-dimethyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
CID 2989630
7-butyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
CID 2991558
9-(4-fluorophenyl)-1-methyl-3-prop-2-ynyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 72697647
1,3-diethyl-9-(4-fluorophenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 72698080
1,3-dimethyl-8-phenyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
CID 155516939
8-(3-fluorophenyl)-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
CID 155553697
8-(4-fluorophenyl)-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
CID 155556727
Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-3-phenyl-
CID 322470
6-methyl-3-(pyridin-2-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione
CID 6401283
7-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CID 1164376
7-butyl-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CID 4889318

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[[8-(4-fluorophenyl)-6-methyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl]methyl]-N-methylpropanamide?
The IUPAC name of 3-(dimethylamino)-N-[[8-(4-fluorophenyl)-6-methyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl]methyl]-N-methylpropanamide (CID 67307633) is 3-(dimethylamino)-N-[[8-(4-fluorophenyl)-6-methyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl]methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[[8-(4-fluorophenyl)-6-methyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl]methyl]-N-methylpropanamide?
The canonical SMILES for 3-(dimethylamino)-N-[[8-(4-fluorophenyl)-6-methyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl]methyl]-N-methylpropanamide is CN(C)CCC(=O)N(C)Cc1nnc2c(n1)c(=O)n(C)c(=O)n2-c1ccc(F)cc1.
What is the InChIKey of 3-(dimethylamino)-N-[[8-(4-fluorophenyl)-6-methyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl]methyl]-N-methylpropanamide?
The InChIKey is OPYVZWDHPICXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7O3/c1-24(2)10-9-15(28)25(3)11-14-21-16-17(23-22-14)27(19(30)26(4)18(16)29)13-7-5-12(20)6-8-13/h5-8H,9-11H2,1-4H3.
What are the key properties of 3-(dimethylamino)-N-[[8-(4-fluorophenyl)-6-methyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl]methyl]-N-methylpropanamide?
3-(dimethylamino)-N-[[8-(4-fluorophenyl)-6-methyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl]methyl]-N-methylpropanamide has a molecular weight of 415.43 g/mol, XLogP of -0.08, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[[8-(4-fluorophenyl)-6-methyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl]methyl]-N-methylpropanamide is sourced from PubChem (CID 67307633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).