5-[5-[4-(hydroxymethyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione

C15H19N5O3 — CID 163274136

IUPAC5-[5-[4-(hydroxymethyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCC(CO)CC1
InChIInChI=1S/C15H19N5O3/c1-9-13(20-4-2-10(8-21)3-5-20)6-12(19-18-9)11-7-16-15(23)17-14(11)22/h6-7,10,21H,2-5,8H2,1H3,(H2,16,17,22,23)
InChIKeyLPPHPUFTOBPGNH-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.04
Rot. Bonds3

About 5-[5-[4-(hydroxymethyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[5-[4-(hydroxymethyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 163274136) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-[5-[4-(hydroxymethyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-[4-(hydroxymethyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID163274136
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name5-[5-[4-(hydroxymethyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCC(CO)CC1
InChIInChI=1S/C15H19N5O3/c1-9-13(20-4-2-10(8-21)3-5-20)6-12(19-18-9)11-7-16-15(23)17-14(11)22/h6-7,10,21H,2-5,8H2,1H3,(H2,16,17,22,23)
InChIKeyLPPHPUFTOBPGNH-UHFFFAOYSA-N
XLogP0.04
TPSA114.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163274087
5-[5-[3-(4-fluorophenyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163274104
5-[5-[(3S)-3-(4-fluorophenyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163274146
5-[5-[(3R)-3-(4-fluorophenyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163274200
5-[5-(3-fluoropiperidin-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 165128784
5-[6-methyl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 165128795
5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;ethane
CID 165128821
5-[5-[(3S)-3-fluoropyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 165128862
5-[5-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 165128873
5-[6-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 165128876
(Z)-N-acetyl-3-amino-2-[6-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyridazin-3-yl]prop-2-enamide
CID 163274083
5-[6-methyl-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163274086

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(hydroxymethyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-[4-(hydroxymethyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 163274136) is 5-[5-[4-(hydroxymethyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-[4-(hydroxymethyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-[4-(hydroxymethyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCC(CO)CC1.
What is the InChIKey of 5-[5-[4-(hydroxymethyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is LPPHPUFTOBPGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-9-13(20-4-2-10(8-21)3-5-20)6-12(19-18-9)11-7-16-15(23)17-14(11)22/h6-7,10,21H,2-5,8H2,1H3,(H2,16,17,22,23).
What are the key properties of 5-[5-[4-(hydroxymethyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[5-[4-(hydroxymethyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 317.35 g/mol, XLogP of 0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(hydroxymethyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 163274136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).