2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one

C21H22N6O2 — CID 126940116

IUPAC2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
SMILESO=c1ccc(-c2cccnc2)nn1C1COCC1Nc1cc(C2CCC2)ncn1
InChIInChI=1S/C21H22N6O2/c28-21-7-6-16(15-5-2-8-22-10-15)26-27(21)19-12-29-11-18(19)25-20-9-17(23-13-24-20)14-3-1-4-14/h2,5-10,13-14,18-19H,1,3-4,11-12H2,(H,23,24,25)
InChIKeyMBCBIPLRCASBHZ-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.41
Rot. Bonds5

About 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one

2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one (PubChem CID 126940116) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
PubChem CID126940116
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
SMILESO=c1ccc(-c2cccnc2)nn1C1COCC1Nc1cc(C2CCC2)ncn1
InChIInChI=1S/C21H22N6O2/c28-21-7-6-16(15-5-2-8-22-10-15)26-27(21)19-12-29-11-18(19)25-20-9-17(23-13-24-20)14-3-1-4-14/h2,5-10,13-14,18-19H,1,3-4,11-12H2,(H,23,24,25)
InChIKeyMBCBIPLRCASBHZ-UHFFFAOYSA-N
XLogP2.41
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one with MolForge

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Related Compounds

2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126938676
6-pyridin-3-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940106
2-[4-[(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
CID 126940207
2-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
CID 126940102
2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126939742
6-pyridin-3-yl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940172
6-pyridin-4-yl-2-[4-(pyrido[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940401
2-[4-[(6-cyclopropylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126939741
2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
CID 126940053
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 126940035
6-(3-methoxyphenyl)-2-[4-[(1-methyl-6-oxopyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126940009
5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide
CID 126940065

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one?
The IUPAC name of 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one (CID 126940116) is 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one.
What is the SMILES notation for 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one?
The canonical SMILES for 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one is O=c1ccc(-c2cccnc2)nn1C1COCC1Nc1cc(C2CCC2)ncn1.
What is the InChIKey of 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one?
The InChIKey is MBCBIPLRCASBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c28-21-7-6-16(15-5-2-8-22-10-15)26-27(21)19-12-29-11-18(19)25-20-9-17(23-13-24-20)14-3-1-4-14/h2,5-10,13-14,18-19H,1,3-4,11-12H2,(H,23,24,25).
What are the key properties of 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one?
2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one has a molecular weight of 390.45 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one is sourced from PubChem (CID 126940116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).