6-[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one

C16H19N5O3 — CID 126852374

IUPAC6-[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCc1cc(OC2CCN(C(=O)c3ccc(=O)n(C)n3)C2)nc(C)n1
InChIInChI=1S/C16H19N5O3/c1-10-8-14(18-11(2)17-10)24-12-6-7-21(9-12)16(23)13-4-5-15(22)20(3)19-13/h4-5,8,12H,6-7,9H2,1-3H3
InChIKeyRJIRIBOLUZXWOY-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.48
Rot. Bonds3

About 6-[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one

6-[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one (PubChem CID 126852374) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 6-[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
PubChem CID126852374
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name6-[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCc1cc(OC2CCN(C(=O)c3ccc(=O)n(C)n3)C2)nc(C)n1
InChIInChI=1S/C16H19N5O3/c1-10-8-14(18-11(2)17-10)24-12-6-7-21(9-12)16(23)13-4-5-15(22)20(3)19-13/h4-5,8,12H,6-7,9H2,1-3H3
InChIKeyRJIRIBOLUZXWOY-UHFFFAOYSA-N
XLogP0.48
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl (3R)-3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 153376550
4-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyridine-2-carboxamide
CID 129354873
6-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 121197470
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-4-ylmethanone
CID 122260367
3-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100754469
[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 126852395
2-methyl-6-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyridazin-3-one
CID 121017957
6-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 154841006
methyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate
CID 121017902
(4-chlorophenyl)-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260264
[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 121160924
6-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 122332267

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one (CID 126852374) is 6-[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one is Cc1cc(OC2CCN(C(=O)c3ccc(=O)n(C)n3)C2)nc(C)n1.
What is the InChIKey of 6-[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is RJIRIBOLUZXWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-10-8-14(18-11(2)17-10)24-12-6-7-21(9-12)16(23)13-4-5-15(22)20(3)19-13/h4-5,8,12H,6-7,9H2,1-3H3.
What are the key properties of 6-[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one?
6-[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 329.36 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 126852374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).