6,8-dimethyl-3-(morpholine-4-carbonyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione

C12H14N6O4 — CID 10733418

IUPAC6,8-dimethyl-3-(morpholine-4-carbonyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1c(=O)c2nc(C(=O)N3CCOCC3)nnc2n(C)c1=O
InChIInChI=1S/C12H14N6O4/c1-16-9-7(10(19)17(2)12(16)21)13-8(14-15-9)11(20)18-3-5-22-6-4-18/h3-6H2,1-2H3
InChIKeyABKAQFCNEYEKBL-UHFFFAOYSA-N
MW306.28 g/mol
LogP-2.11
Rot. Bonds1

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

6,8-dimethyl-3-(morpholine-4-carbonyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 10733418) has the molecular formula C12H14N6O4 and a molecular weight of 306.28 g/mol. Its IUPAC name is 6,8-dimethyl-3-(morpholine-4-carbonyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name6,8-dimethyl-3-(morpholine-4-carbonyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID10733418
Molecular FormulaC12H14N6O4
Molecular Weight306.28 g/mol
Exact Mass306.11
IUPAC Name6,8-dimethyl-3-(morpholine-4-carbonyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1c(=O)c2nc(C(=O)N3CCOCC3)nnc2n(C)c1=O
InChIInChI=1S/C12H14N6O4/c1-16-9-7(10(19)17(2)12(16)21)13-8(14-15-9)11(20)18-3-5-22-6-4-18/h3-6H2,1-2H3
InChIKeyABKAQFCNEYEKBL-UHFFFAOYSA-N
XLogP-2.11
TPSA112.21 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 5-2.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

6,8-dimethyl-3-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 14823832
6,8-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide
CID 67307318
N-[2-(diethylamino)ethyl]-6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide
CID 10664509
1-(6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl)ethyl acetate
CID 10802604
N-[3-(diethylamino)propyl]-6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide
CID 67308003
1,3-dimethyl-8-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-7-propan-2-ylpurine-2,6-dione
CID 2967214
6,8-dimethyl-3-morpholin-4-ylpyrimido[4,5-c]pyridazine-5,7-dione
CID 6408828
1,3,7-trimethyl-2,4-dioxopteridine-6-carboxylic acid
CID 15359662
1,3,7-trimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53007746
[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-morpholin-4-ylmethanone
CID 11742058
1,3-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrido[2,3-d]pyrimidine-2,4-dione
CID 7424416
1,3-dimethyl-10-(morpholin-4-ylmethyl)indolo[3,2-g]pteridine-2,4-dione
CID 1210300

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-3-(morpholine-4-carbonyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 6,8-dimethyl-3-(morpholine-4-carbonyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 10733418) is 6,8-dimethyl-3-(morpholine-4-carbonyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 6,8-dimethyl-3-(morpholine-4-carbonyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 6,8-dimethyl-3-(morpholine-4-carbonyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione is Cn1c(=O)c2nc(C(=O)N3CCOCC3)nnc2n(C)c1=O.
What is the InChIKey of 6,8-dimethyl-3-(morpholine-4-carbonyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is ABKAQFCNEYEKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O4/c1-16-9-7(10(19)17(2)12(16)21)13-8(14-15-9)11(20)18-3-5-22-6-4-18/h3-6H2,1-2H3.
What are the key properties of 6,8-dimethyl-3-(morpholine-4-carbonyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
6,8-dimethyl-3-(morpholine-4-carbonyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 306.28 g/mol, XLogP of -2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-3-(morpholine-4-carbonyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 10733418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).