6-[(3S)-3-pyridazin-3-yloxypyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C13H13N5O4 — CID 100622739

IUPAC6-[(3S)-3-pyridazin-3-yloxypyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CC[C@H](Oc2cccnn2)C1
InChIInChI=1S/C13H13N5O4/c19-10-6-9(15-13(21)16-10)12(20)18-5-3-8(7-18)22-11-2-1-4-14-17-11/h1-2,4,6,8H,3,5,7H2,(H2,15,16,19,21)/t8-/m0/s1
InChIKeyUQRJVMPUQVVMND-QMMMGPOBSA-N
MW303.28 g/mol
LogP-0.85
Rot. Bonds3

About 6-[(3S)-3-pyridazin-3-yloxypyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[(3S)-3-pyridazin-3-yloxypyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 100622739) has the molecular formula C13H13N5O4 and a molecular weight of 303.28 g/mol. Its IUPAC name is 6-[(3S)-3-pyridazin-3-yloxypyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3S)-3-pyridazin-3-yloxypyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID100622739
Molecular FormulaC13H13N5O4
Molecular Weight303.28 g/mol
Exact Mass303.10
IUPAC Name6-[(3S)-3-pyridazin-3-yloxypyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CC[C@H](Oc2cccnn2)C1
InChIInChI=1S/C13H13N5O4/c19-10-6-9(15-13(21)16-10)12(20)18-5-3-8(7-18)22-11-2-1-4-14-17-11/h1-2,4,6,8H,3,5,7H2,(H2,15,16,19,21)/t8-/m0/s1
InChIKeyUQRJVMPUQVVMND-QMMMGPOBSA-N
XLogP-0.85
TPSA121.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1H-indol-2-yl-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100620291
(3-phenyl-1H-pyrazol-5-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638178
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
(3-pyridazin-3-yloxypyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 90638405
(4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638273
(3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 91627208
2,2,2-trifluoro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 159511918
(3-phenyl-1H-pyrazol-5-yl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 71799334
[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 100623567
(5-methylpyrazin-2-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100623677
(5-methylpyrazin-2-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 91627264
5-(3-pyridazin-3-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one
CID 91627644

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-pyridazin-3-yloxypyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(3S)-3-pyridazin-3-yloxypyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 100622739) is 6-[(3S)-3-pyridazin-3-yloxypyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3S)-3-pyridazin-3-yloxypyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(3S)-3-pyridazin-3-yloxypyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione is O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CC[C@H](Oc2cccnn2)C1.
What is the InChIKey of 6-[(3S)-3-pyridazin-3-yloxypyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is UQRJVMPUQVVMND-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H13N5O4/c19-10-6-9(15-13(21)16-10)12(20)18-5-3-8(7-18)22-11-2-1-4-14-17-11/h1-2,4,6,8H,3,5,7H2,(H2,15,16,19,21)/t8-/m0/s1.
What are the key properties of 6-[(3S)-3-pyridazin-3-yloxypyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[(3S)-3-pyridazin-3-yloxypyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 303.28 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-pyridazin-3-yloxypyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 100622739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).