6-(2-amino-4-phenylpyrimidin-5-yl)-2-propan-2-ylpyridazin-3-one

C17H17N5O — CID 52939114

IUPAC6-(2-amino-4-phenylpyrimidin-5-yl)-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(-c2cnc(N)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C17H17N5O/c1-11(2)22-15(23)9-8-14(21-22)13-10-19-17(18)20-16(13)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,18,19,20)
InChIKeyQECZSUGQZHURLI-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.53
Rot. Bonds3

About 6-(2-amino-4-phenylpyrimidin-5-yl)-2-propan-2-ylpyridazin-3-one

6-(2-amino-4-phenylpyrimidin-5-yl)-2-propan-2-ylpyridazin-3-one (PubChem CID 52939114) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 6-(2-amino-4-phenylpyrimidin-5-yl)-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-(2-amino-4-phenylpyrimidin-5-yl)-2-propan-2-ylpyridazin-3-one
PubChem CID52939114
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name6-(2-amino-4-phenylpyrimidin-5-yl)-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(-c2cnc(N)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C17H17N5O/c1-11(2)22-15(23)9-8-14(21-22)13-10-19-17(18)20-16(13)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,18,19,20)
InChIKeyQECZSUGQZHURLI-UHFFFAOYSA-N
XLogP2.53
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 39
CID 5330225
8-sec-Butyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330227
6-(3,5-Difluorophenyl)-2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]pyridazin-3-one
CID 68512172
1-Benzyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 89795319
6-(2-(butylamino)pyrimidin-4-yl)-3-oxo-N-(3-(pyridin-3-yl)propyl)-2,3-dihydropyridazine-4-carboxamide
CID 9822667
2-[3-(4-Fluorophenyl)piperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 11187702
N-methyl-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 14722184
2-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005628
2-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25006369
1,2-diethyl-4-(4-fluorophenyl)-5-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]pyrazol-3-one
CID 44402316
5-[2-[[(2S)-butan-2-yl]amino]pyrimidin-4-yl]-4-(4-fluorophenyl)-1,2-dimethylpyrazol-3-one
CID 44402496
6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-pyridin-2-ylpyridazin-3-one
CID 44540074

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-4-phenylpyrimidin-5-yl)-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-(2-amino-4-phenylpyrimidin-5-yl)-2-propan-2-ylpyridazin-3-one (CID 52939114) is 6-(2-amino-4-phenylpyrimidin-5-yl)-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-(2-amino-4-phenylpyrimidin-5-yl)-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-(2-amino-4-phenylpyrimidin-5-yl)-2-propan-2-ylpyridazin-3-one is CC(C)n1nc(-c2cnc(N)nc2-c2ccccc2)ccc1=O.
What is the InChIKey of 6-(2-amino-4-phenylpyrimidin-5-yl)-2-propan-2-ylpyridazin-3-one?
The InChIKey is QECZSUGQZHURLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11(2)22-15(23)9-8-14(21-22)13-10-19-17(18)20-16(13)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,18,19,20).
What are the key properties of 6-(2-amino-4-phenylpyrimidin-5-yl)-2-propan-2-ylpyridazin-3-one?
6-(2-amino-4-phenylpyrimidin-5-yl)-2-propan-2-ylpyridazin-3-one has a molecular weight of 307.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-4-phenylpyrimidin-5-yl)-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 52939114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).