2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one

C18H23N5O — CID 126934368

IUPAC2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one
SMILESO=c1cccnn1C1CCC(Nc2cc(C3CCC3)ncn2)CC1
InChIInChI=1S/C18H23N5O/c24-18-5-2-10-21-23(18)15-8-6-14(7-9-15)22-17-11-16(19-12-20-17)13-3-1-4-13/h2,5,10-15H,1,3-4,6-9H2,(H,19,20,22)
InChIKeyUFHFYAKDOUQUBF-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.90
Rot. Bonds4

About 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one

2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one (PubChem CID 126934368) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one
PubChem CID126934368
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one
SMILESO=c1cccnn1C1CCC(Nc2cc(C3CCC3)ncn2)CC1
InChIInChI=1S/C18H23N5O/c24-18-5-2-10-21-23(18)15-8-6-14(7-9-15)22-17-11-16(19-12-20-17)13-3-1-4-13/h2,5,10-15H,1,3-4,6-9H2,(H,19,20,22)
InChIKeyUFHFYAKDOUQUBF-UHFFFAOYSA-N
XLogP2.90
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126938676
2-[4-[(6-cyclopropylpyrimidin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one
CID 126934708
6-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile
CID 126934338
2-[4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126934470
2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126934365
2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934512
2-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934386
2-[4-[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934530
2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridazin-3-one
CID 126934355
N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrrolidine-1-sulfonamide
CID 126934326
2-[4-(1H-pyrazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126934442
2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934424

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one?
The IUPAC name of 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one (CID 126934368) is 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one?
The canonical SMILES for 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one is O=c1cccnn1C1CCC(Nc2cc(C3CCC3)ncn2)CC1.
What is the InChIKey of 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one?
The InChIKey is UFHFYAKDOUQUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c24-18-5-2-10-21-23(18)15-8-6-14(7-9-15)22-17-11-16(19-12-20-17)13-3-1-4-13/h2,5,10-15H,1,3-4,6-9H2,(H,19,20,22).
What are the key properties of 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one?
2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one has a molecular weight of 325.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126934368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).