6,8-dimethyl-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione

C19H22N6O4 — CID 67307501

IUPAC6,8-dimethyl-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1c(=O)c2nc(-c3ccc(OCCN4CCOCC4)cc3)nnc2n(C)c1=O
InChIInChI=1S/C19H22N6O4/c1-23-17-15(18(26)24(2)19(23)27)20-16(21-22-17)13-3-5-14(6-4-13)29-12-9-25-7-10-28-11-8-25/h3-6H,7-12H2,1-2H3
InChIKeyQAQYAVUWUGMTEU-UHFFFAOYSA-N
MW398.42 g/mol
LogP-0.20
Rot. Bonds5

About 6,8-dimethyl-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione

6,8-dimethyl-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 67307501) has the molecular formula C19H22N6O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is 6,8-dimethyl-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name6,8-dimethyl-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID67307501
Molecular FormulaC19H22N6O4
Molecular Weight398.42 g/mol
Exact Mass398.17
IUPAC Name6,8-dimethyl-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1c(=O)c2nc(-c3ccc(OCCN4CCOCC4)cc3)nnc2n(C)c1=O
InChIInChI=1S/C19H22N6O4/c1-23-17-15(18(26)24(2)19(23)27)20-16(21-22-17)13-3-5-14(6-4-13)29-12-9-25-7-10-28-11-8-25/h3-6H,7-12H2,1-2H3
InChIKeyQAQYAVUWUGMTEU-UHFFFAOYSA-N
XLogP-0.20
TPSA104.37 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6,8-dimethyl-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione with MolForge

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Related Compounds

6,8-dimethyl-3-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67308128
3-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]-6-methyl-8-propan-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67308415
1,3-dimethyl-9-[2-[4-(2-morpholin-4-ylethoxy)phenyl]ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 127043661
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
6-methyl-3-(2-morpholin-4-ylethoxy)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67307437
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
5-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-one
CID 71543198
6,8-dimethyl-3-(morpholine-4-carbonyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 10733418
4-[2-[4-(6-ethyl-3-pyridinyl)phenoxy]ethyl]morpholine
CID 59845977
8-cyclopentyl-3-[4-[2-[2-(diethylamino)ethylamino]ethoxy]phenyl]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67308587
3-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 22343239

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 6,8-dimethyl-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 67307501) is 6,8-dimethyl-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 6,8-dimethyl-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 6,8-dimethyl-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione is Cn1c(=O)c2nc(-c3ccc(OCCN4CCOCC4)cc3)nnc2n(C)c1=O.
What is the InChIKey of 6,8-dimethyl-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is QAQYAVUWUGMTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4/c1-23-17-15(18(26)24(2)19(23)27)20-16(21-22-17)13-3-5-14(6-4-13)29-12-9-25-7-10-28-11-8-25/h3-6H,7-12H2,1-2H3.
What are the key properties of 6,8-dimethyl-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
6,8-dimethyl-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 398.42 g/mol, XLogP of -0.20, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 67307501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).