6-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C15H17N5O4 — CID 91627783

IUPAC6-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCc1ccc(OC2CCCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)C2)nn1
InChIInChI=1S/C15H17N5O4/c1-9-4-5-13(19-18-9)24-10-3-2-6-20(8-10)14(22)11-7-12(21)17-15(23)16-11/h4-5,7,10H,2-3,6,8H2,1H3,(H2,16,17,21,23)
InChIKeyXBSBGLMYIQWQSH-UHFFFAOYSA-N
MW331.33 g/mol
LogP-0.15
Rot. Bonds3

About 6-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 91627783) has the molecular formula C15H17N5O4 and a molecular weight of 331.33 g/mol. Its IUPAC name is 6-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID91627783
Molecular FormulaC15H17N5O4
Molecular Weight331.33 g/mol
Exact Mass331.13
IUPAC Name6-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCc1ccc(OC2CCCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)C2)nn1
InChIInChI=1S/C15H17N5O4/c1-9-4-5-13(19-18-9)24-10-3-2-6-20(8-10)14(22)11-7-12(21)17-15(23)16-11/h4-5,7,10H,2-3,6,8H2,1H3,(H2,16,17,21,23)
InChIKeyXBSBGLMYIQWQSH-UHFFFAOYSA-N
XLogP-0.15
TPSA121.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 91627783) is 6-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is Cc1ccc(OC2CCCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)C2)nn1.
What is the InChIKey of 6-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is XBSBGLMYIQWQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4/c1-9-4-5-13(19-18-9)24-10-3-2-6-20(8-10)14(22)11-7-12(21)17-15(23)16-11/h4-5,7,10H,2-3,6,8H2,1H3,(H2,16,17,21,23).
What are the key properties of 6-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 331.33 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 91627783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).