2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one

C15H19N5O2 — CID 126938713

IUPAC2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one
SMILESCC(C)c1nccc(NC2COCC2n2ncccc2=O)n1
InChIInChI=1S/C15H19N5O2/c1-10(2)15-16-7-5-13(19-15)18-11-8-22-9-12(11)20-14(21)4-3-6-17-20/h3-7,10-12H,8-9H2,1-2H3,(H,16,18,19)
InChIKeyITEYDPKSGTUHHO-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.21
Rot. Bonds4

About 2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one

2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one (PubChem CID 126938713) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one
PubChem CID126938713
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one
SMILESCC(C)c1nccc(NC2COCC2n2ncccc2=O)n1
InChIInChI=1S/C15H19N5O2/c1-10(2)15-16-7-5-13(19-15)18-11-8-22-9-12(11)20-14(21)4-3-6-17-20/h3-7,10-12H,8-9H2,1-2H3,(H,16,18,19)
InChIKeyITEYDPKSGTUHHO-UHFFFAOYSA-N
XLogP1.21
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126938676
N-cyclopropyl-2-propan-2-ylpyrimidin-4-amine
CID 130920544
1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]urea
CID 126938653
2-[4-(isoquinolin-1-ylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 126940480
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-2-propan-2-ylpyrimidin-4-amine
CID 128977716
N-piperidin-4-yl-2-propan-2-ylpyrimidin-4-amine
CID 83838042
6-cyclopropyl-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126939086
6-cyclopropyl-2-[4-[(6-cyclopropylpyridazin-3-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126939045
cis-(1S,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 138024213
6-cyclopropyl-2-[4-[(4-methylquinolin-2-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126939094
2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936752
2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
CID 126940116

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one?
The IUPAC name of 2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one (CID 126938713) is 2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one.
What is the SMILES notation for 2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one?
The canonical SMILES for 2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one is CC(C)c1nccc(NC2COCC2n2ncccc2=O)n1.
What is the InChIKey of 2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one?
The InChIKey is ITEYDPKSGTUHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10(2)15-16-7-5-13(19-15)18-11-8-22-9-12(11)20-14(21)4-3-6-17-20/h3-7,10-12H,8-9H2,1-2H3,(H,16,18,19).
What are the key properties of 2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one?
2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one has a molecular weight of 301.35 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one is sourced from PubChem (CID 126938713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).