2,4-dimethyl-5-[1-(pyridazin-3-ylmethylamino)ethyl]-1H-pyrimidin-6-one

C13H17N5O — CID 136827793

IUPAC2,4-dimethyl-5-[1-(pyridazin-3-ylmethylamino)ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(C)NCc2cccnn2)c(=O)[nH]1
InChIInChI=1S/C13H17N5O/c1-8(14-7-11-5-4-6-15-18-11)12-9(2)16-10(3)17-13(12)19/h4-6,8,14H,7H2,1-3H3,(H,16,17,19)
InChIKeyDXXAYGFGXADYSG-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.03
Rot. Bonds4

About 2,4-dimethyl-5-[1-(pyridazin-3-ylmethylamino)ethyl]-1H-pyrimidin-6-one

2,4-dimethyl-5-[1-(pyridazin-3-ylmethylamino)ethyl]-1H-pyrimidin-6-one (PubChem CID 136827793) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2,4-dimethyl-5-[1-(pyridazin-3-ylmethylamino)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-[1-(pyridazin-3-ylmethylamino)ethyl]-1H-pyrimidin-6-one
PubChem CID136827793
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2,4-dimethyl-5-[1-(pyridazin-3-ylmethylamino)ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(C)NCc2cccnn2)c(=O)[nH]1
InChIInChI=1S/C13H17N5O/c1-8(14-7-11-5-4-6-15-18-11)12-9(2)16-10(3)17-13(12)19/h4-6,8,14H,7H2,1-3H3,(H,16,17,19)
InChIKeyDXXAYGFGXADYSG-UHFFFAOYSA-N
XLogP1.03
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-5-[1-[2-(2-methylpropoxy)ethylamino]ethyl]-1H-pyrimidin-6-one
CID 136931872
5-[1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136963125
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895435
4-[1-(pyridazin-3-ylmethylamino)ethyl]phenol
CID 106895349
1-(3-methylthiophen-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895134
1-(1,3-benzothiazol-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895025
1-(2,5-difluoro-4-methylphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895273
1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895281
1-(2,3-dichlorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 107094366
5-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136857354
5-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136965510
1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895169

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[1-(pyridazin-3-ylmethylamino)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-[1-(pyridazin-3-ylmethylamino)ethyl]-1H-pyrimidin-6-one (CID 136827793) is 2,4-dimethyl-5-[1-(pyridazin-3-ylmethylamino)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-[1-(pyridazin-3-ylmethylamino)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-[1-(pyridazin-3-ylmethylamino)ethyl]-1H-pyrimidin-6-one is Cc1nc(C)c(C(C)NCc2cccnn2)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-5-[1-(pyridazin-3-ylmethylamino)ethyl]-1H-pyrimidin-6-one?
The InChIKey is DXXAYGFGXADYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-8(14-7-11-5-4-6-15-18-11)12-9(2)16-10(3)17-13(12)19/h4-6,8,14H,7H2,1-3H3,(H,16,17,19).
What are the key properties of 2,4-dimethyl-5-[1-(pyridazin-3-ylmethylamino)ethyl]-1H-pyrimidin-6-one?
2,4-dimethyl-5-[1-(pyridazin-3-ylmethylamino)ethyl]-1H-pyrimidin-6-one has a molecular weight of 259.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[1-(pyridazin-3-ylmethylamino)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136827793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).