2-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one

C15H19N5O — CID 126934386

IUPAC2-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
SMILESCc1ccnc(NC2CCC(n3ncccc3=O)CC2)n1
InChIInChI=1S/C15H19N5O/c1-11-8-10-16-15(18-11)19-12-4-6-13(7-5-12)20-14(21)3-2-9-17-20/h2-3,8-10,12-13H,4-7H2,1H3,(H,16,18,19)
InChIKeyAUZGQMSYVQILGF-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.94
Rot. Bonds3

About 2-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one

2-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one (PubChem CID 126934386) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
PubChem CID126934386
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
SMILESCc1ccnc(NC2CCC(n3ncccc3=O)CC2)n1
InChIInChI=1S/C15H19N5O/c1-11-8-10-16-15(18-11)19-12-4-6-13(7-5-12)20-14(21)3-2-9-17-20/h2-3,8-10,12-13H,4-7H2,1H3,(H,16,18,19)
InChIKeyAUZGQMSYVQILGF-UHFFFAOYSA-N
XLogP1.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934424
2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridazin-3-one
CID 126934355
2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126934365
3-methyl-2-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]quinazolin-4-one
CID 126934525
N-(3-methoxycyclopentyl)-4-methylpyrimidin-2-amine
CID 103081989
4-methyl-N-piperidin-4-ylpyrimidin-2-amine
CID 59744254
2-[4-(1-pyridin-3-ylethylamino)cyclohexyl]pyridazin-3-one
CID 126934421
2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934368
6-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile
CID 126934338
4-methyl-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine
CID 141014641
2-[4-[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934530
2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936318

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one?
The IUPAC name of 2-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one (CID 126934386) is 2-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 2-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one?
The canonical SMILES for 2-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one is Cc1ccnc(NC2CCC(n3ncccc3=O)CC2)n1.
What is the InChIKey of 2-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one?
The InChIKey is AUZGQMSYVQILGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-8-10-16-15(18-11)19-12-4-6-13(7-5-12)20-14(21)3-2-9-17-20/h2-3,8-10,12-13H,4-7H2,1H3,(H,16,18,19).
What are the key properties of 2-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one?
2-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one has a molecular weight of 285.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126934386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).