2-[2-[[6-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-6-methylpyridazin-3-one

C13H18N6O — CID 122282209

IUPAC2-[2-[[6-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCNc2cc(N(C)C)ncn2)n1
InChIInChI=1S/C13H18N6O/c1-10-4-5-13(20)19(17-10)7-6-14-11-8-12(18(2)3)16-9-15-11/h4-5,8-9H,6-7H2,1-3H3,(H,14,15,16)
InChIKeySEDCVTZYBIIQKW-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.52
Rot. Bonds5

About 2-[2-[[6-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-6-methylpyridazin-3-one

2-[2-[[6-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-6-methylpyridazin-3-one (PubChem CID 122282209) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-[2-[[6-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[[6-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-6-methylpyridazin-3-one
PubChem CID122282209
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-[2-[[6-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCNc2cc(N(C)C)ncn2)n1
InChIInChI=1S/C13H18N6O/c1-10-4-5-13(20)19(17-10)7-6-14-11-8-12(18(2)3)16-9-15-11/h4-5,8-9H,6-7H2,1-3H3,(H,14,15,16)
InChIKeySEDCVTZYBIIQKW-UHFFFAOYSA-N
XLogP0.52
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one
CID 62923541
6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281911
6-(4-fluorophenyl)-2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]ethyl]pyridazin-3-one
CID 122281789
2-[2-(cyclopentylamino)ethyl]-6-methylpyridazin-3-one
CID 62925137
2,4-dimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033847
6-methyl-2-propylpyridazin-3-one
CID 12504076
6-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one
CID 62922504
6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 102080311
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121059005
methyl 3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoate
CID 115264973
2-[3-(cyclopropylamino)propyl]-6-methylpyridazin-3-one
CID 62924077
3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
CID 121058993

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-[[6-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-6-methylpyridazin-3-one (CID 122282209) is 2-[2-[[6-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-[[6-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-[[6-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CCNc2cc(N(C)C)ncn2)n1.
What is the InChIKey of 2-[2-[[6-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-6-methylpyridazin-3-one?
The InChIKey is SEDCVTZYBIIQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-10-4-5-13(20)19(17-10)7-6-14-11-8-12(18(2)3)16-9-15-11/h4-5,8-9H,6-7H2,1-3H3,(H,14,15,16).
What are the key properties of 2-[2-[[6-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-6-methylpyridazin-3-one?
2-[2-[[6-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-6-methylpyridazin-3-one has a molecular weight of 274.33 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 122282209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).