2-methyl-6-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridazin-3-one

C16H18N6O3 — CID 86264596

IUPAC2-methyl-6-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridazin-3-one
SMILESCn1nc(C(=O)N2Cc3cnc(N4CCOCC4)nc3C2)ccc1=O
InChIInChI=1S/C16H18N6O3/c1-20-14(23)3-2-12(19-20)15(24)22-9-11-8-17-16(18-13(11)10-22)21-4-6-25-7-5-21/h2-3,8H,4-7,9-10H2,1H3
InChIKeyXOBUQQICEYCLMA-UHFFFAOYSA-N
MW342.36 g/mol
LogP-0.44
Rot. Bonds2

About 2-methyl-6-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridazin-3-one

2-methyl-6-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridazin-3-one (PubChem CID 86264596) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-methyl-6-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridazin-3-one
PubChem CID86264596
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name2-methyl-6-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridazin-3-one
SMILESCn1nc(C(=O)N2Cc3cnc(N4CCOCC4)nc3C2)ccc1=O
InChIInChI=1S/C16H18N6O3/c1-20-14(23)3-2-12(19-20)15(24)22-9-11-8-17-16(18-13(11)10-22)21-4-6-25-7-5-21/h2-3,8H,4-7,9-10H2,1H3
InChIKeyXOBUQQICEYCLMA-UHFFFAOYSA-N
XLogP-0.44
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-(2-Aminopyrimidin-5-yl)-4-morpholin-4-yl-2-propylpyridazin-3-one
CID 168284854
2-isobutyl-6-{[1-(2-methoxyethyl)piperidin-4-yl]carbonyl}-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56750825
cyclopropyl(2-morpholino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)methanone
CID 86264538
2-ethoxy-1-(2-morpholino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)ethanone
CID 86264542
1-methyl-3-(2-morpholino-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridin-2(1H)-one
CID 86264561
2-(2-(2-morpholino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)-2-oxoethyl)pyridazin-3(2H)-one
CID 86264622
tert-butyl 2-morpholino-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
CID 119106458
(s)-6-(1-Methyl-1h-pyrazol-4-yl)-2-((4-(5-((4-methylpiperazin-1-yl)methyl)pyrimidin-2-yl)morpholin-2-yl)methyl)pyridazin-3(2h)-one
CID 129887942
4,4,4-trifluoro-1-(2-morpholino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)butan-1-one
CID 92071800
2-[2-(2-tert-butyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-6-methylpyridazin-3(2H)-one
CID 56739690
6-[(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)carbonyl]-2-methylpyridazin-3(2H)-one
CID 56751642
2,2-dimethyl-1-(2-morpholino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)propan-1-one
CID 86264541

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridazin-3-one?
The IUPAC name of 2-methyl-6-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridazin-3-one (CID 86264596) is 2-methyl-6-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridazin-3-one is Cn1nc(C(=O)N2Cc3cnc(N4CCOCC4)nc3C2)ccc1=O.
What is the InChIKey of 2-methyl-6-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridazin-3-one?
The InChIKey is XOBUQQICEYCLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-20-14(23)3-2-12(19-20)15(24)22-9-11-8-17-16(18-13(11)10-22)21-4-6-25-7-5-21/h2-3,8H,4-7,9-10H2,1H3.
What are the key properties of 2-methyl-6-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridazin-3-one?
2-methyl-6-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridazin-3-one has a molecular weight of 342.36 g/mol, XLogP of -0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridazin-3-one is sourced from PubChem (CID 86264596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).