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

C16H19N5O2 — CID 56751642

IUPAC2-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridazin-3-one
SMILESCC(C)Cc1ncc2c(n1)CN(C(=O)c1ccc(=O)n(C)n1)C2
InChIInChI=1S/C16H19N5O2/c1-10(2)6-14-17-7-11-8-21(9-13(11)18-14)16(23)12-4-5-15(22)20(3)19-12/h4-5,7,10H,6,8-9H2,1-3H3
InChIKeyYNLJKKMNEHHETK-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.92
Rot. Bonds3

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

2-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridazin-3-one (PubChem CID 56751642) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridazin-3-one
PubChem CID56751642
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridazin-3-one
SMILESCC(C)Cc1ncc2c(n1)CN(C(=O)c1ccc(=O)n(C)n1)C2
InChIInChI=1S/C16H19N5O2/c1-10(2)6-14-17-7-11-8-21(9-13(11)18-14)16(23)12-4-5-15(22)20(3)19-12/h4-5,7,10H,6,8-9H2,1-3H3
InChIKeyYNLJKKMNEHHETK-UHFFFAOYSA-N
XLogP0.92
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-acetyl-2-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56745332
N-[2-(2-ethyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-2-methylpropanamide
CID 56740037
2-ethyl-6-[(2-isopropyl-4-methylpyrimidin-5-yl)carbonyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56741514
3-chloro-1-[2-(2-ethyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2(1H)-one
CID 119058651
N-butyl-N-methyl-2-(6-oxo-3-pyrimidin-5-ylpyridazin-1-yl)acetamide
CID 49853026
6-ethyl-3-[(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)carbonyl]-1,5-dimethylpyridin-2(1H)-one
CID 56738433
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
2-tert-butyl-6-[(2-methoxypyrimidin-5-yl)carbonyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56739691
4-(2-Tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-ethylpyridin-2-one
CID 56740218
2-isobutyl-6-[2-methyl-3-(1H-pyrazol-1-yl)propanoyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56742358
6-(cyclopent-1-en-1-ylcarbonyl)-2-isobutyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56745369
2-isobutyl-6-[(3-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56746560

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridazin-3-one (CID 56751642) is 2-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridazin-3-one is CC(C)Cc1ncc2c(n1)CN(C(=O)c1ccc(=O)n(C)n1)C2.
What is the InChIKey of 2-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridazin-3-one?
The InChIKey is YNLJKKMNEHHETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10(2)6-14-17-7-11-8-21(9-13(11)18-14)16(23)12-4-5-15(22)20(3)19-12/h4-5,7,10H,6,8-9H2,1-3H3.
What are the key properties of 2-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridazin-3-one?
2-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridazin-3-one has a molecular weight of 313.36 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridazin-3-one is sourced from PubChem (CID 56751642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).