5-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one

C13H17ClN6O — CID 133367427

IUPAC5-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(CNc2cc(Cl)nc(N)n2)c1CC
InChIInChI=1S/C13H17ClN6O/c1-3-7-8(12(21)20-19-9(7)4-2)6-16-11-5-10(14)17-13(15)18-11/h5H,3-4,6H2,1-2H3,(H,20,21)(H3,15,16,17,18)
InChIKeyJGZYBULEEPLMRJ-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.53
Rot. Bonds5

About 5-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one

5-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one (PubChem CID 133367427) has the molecular formula C13H17ClN6O and a molecular weight of 308.77 g/mol. Its IUPAC name is 5-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one
PubChem CID133367427
Molecular FormulaC13H17ClN6O
Molecular Weight308.77 g/mol
Exact Mass308.12
IUPAC Name5-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(CNc2cc(Cl)nc(N)n2)c1CC
InChIInChI=1S/C13H17ClN6O/c1-3-7-8(12(21)20-19-9(7)4-2)6-16-11-5-10(14)17-13(15)18-11/h5H,3-4,6H2,1-2H3,(H,20,21)(H3,15,16,17,18)
InChIKeyJGZYBULEEPLMRJ-UHFFFAOYSA-N
XLogP1.53
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one with MolForge

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Related Compounds

4-amino-3,5-dichloro-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide
CID 71849411
5-[[(7-chloroquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one
CID 133367409
6-chloro-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4-diamine
CID 47280465
3,4-diethyl-5-[[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1H-pyridazin-6-one
CID 133367453
6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 78974714
3,4-diethyl-5-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-1H-pyridazin-6-one
CID 133367460
6-chloro-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 78990644
6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine
CID 103463549
2-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methylamino]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133367446
1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethylurea
CID 71846788
4-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]benzoic acid
CID 18388121
5-[[(6-bromoquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one
CID 133367412

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one?
The IUPAC name of 5-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one (CID 133367427) is 5-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one?
The canonical SMILES for 5-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one is CCc1n[nH]c(=O)c(CNc2cc(Cl)nc(N)n2)c1CC.
What is the InChIKey of 5-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one?
The InChIKey is JGZYBULEEPLMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6O/c1-3-7-8(12(21)20-19-9(7)4-2)6-16-11-5-10(14)17-13(15)18-11/h5H,3-4,6H2,1-2H3,(H,20,21)(H3,15,16,17,18).
What are the key properties of 5-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one?
5-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one has a molecular weight of 308.77 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one is sourced from PubChem (CID 133367427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).