2-[6-(2-hydroxypropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]-N-pyrimidin-4-ylacetamide

C20H23N5O3 — CID 162364047

IUPAC2-[6-(2-hydroxypropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]-N-pyrimidin-4-ylacetamide
SMILESCC(C)c1nn(CC(=O)Nc2ccncn2)c(=O)c2ccc(C(C)(C)O)cc12
InChIInChI=1S/C20H23N5O3/c1-12(2)18-15-9-13(20(3,4)28)5-6-14(15)19(27)25(24-18)10-17(26)23-16-7-8-21-11-22-16/h5-9,11-12,28H,10H2,1-4H3,(H,21,22,23,26)
InChIKeyPNWOEVFWHLDXBP-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.18
Rot. Bonds5

About 2-[6-(2-hydroxypropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]-N-pyrimidin-4-ylacetamide

2-[6-(2-hydroxypropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]-N-pyrimidin-4-ylacetamide (PubChem CID 162364047) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[6-(2-hydroxypropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]-N-pyrimidin-4-ylacetamide.

Molecular Properties

Compound Name2-[6-(2-hydroxypropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]-N-pyrimidin-4-ylacetamide
PubChem CID162364047
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-[6-(2-hydroxypropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]-N-pyrimidin-4-ylacetamide
SMILESCC(C)c1nn(CC(=O)Nc2ccncn2)c(=O)c2ccc(C(C)(C)O)cc12
InChIInChI=1S/C20H23N5O3/c1-12(2)18-15-9-13(20(3,4)28)5-6-14(15)19(27)25(24-18)10-17(26)23-16-7-8-21-11-22-16/h5-9,11-12,28H,10H2,1-4H3,(H,21,22,23,26)
InChIKeyPNWOEVFWHLDXBP-UHFFFAOYSA-N
XLogP2.18
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(dimethylamino)-1-oxo-6-(trifluoromethyl)phthalazin-2-yl]-N-pyrimidin-4-ylacetamide
CID 175639241
N-(3-methylbenzimidazol-5-yl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162364067
2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide
CID 162364299
N-(3-hydroxy-3-methylcyclobutyl)-2-[6-(1-methoxyethyl)-4-[5-[7-(2-methoxypropan-2-yl)-4-oxo-3-[2-oxo-2-(pyrimidin-4-ylamino)ethyl]phthalazin-1-yl]hexan-2-yl]-1-oxophthalazin-2-yl]acetamide
CID 166874675
N-[6-(difluoromethyl)pyridazin-3-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162364192
2-[6-(2-fluoropropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
CID 162364165
2-[6-(2-fluoropropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]acetic acid
CID 162364096
N-[3-(2-hydroxypropan-2-yl)cyclobutyl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363709
N-(7-methylpurin-2-yl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363740
2-(2-amino-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-pyrimidin-4-ylacetamide
CID 166518369
2-[2-(methylamino)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-pyrimidin-4-ylacetamide
CID 166518344
2-[2-(dimethylamino)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-pyrimidin-4-ylacetamide
CID 166803168

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-hydroxypropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]-N-pyrimidin-4-ylacetamide?
The IUPAC name of 2-[6-(2-hydroxypropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]-N-pyrimidin-4-ylacetamide (CID 162364047) is 2-[6-(2-hydroxypropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]-N-pyrimidin-4-ylacetamide.
What is the SMILES notation for 2-[6-(2-hydroxypropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]-N-pyrimidin-4-ylacetamide?
The canonical SMILES for 2-[6-(2-hydroxypropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]-N-pyrimidin-4-ylacetamide is CC(C)c1nn(CC(=O)Nc2ccncn2)c(=O)c2ccc(C(C)(C)O)cc12.
What is the InChIKey of 2-[6-(2-hydroxypropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]-N-pyrimidin-4-ylacetamide?
The InChIKey is PNWOEVFWHLDXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-12(2)18-15-9-13(20(3,4)28)5-6-14(15)19(27)25(24-18)10-17(26)23-16-7-8-21-11-22-16/h5-9,11-12,28H,10H2,1-4H3,(H,21,22,23,26).
What are the key properties of 2-[6-(2-hydroxypropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]-N-pyrimidin-4-ylacetamide?
2-[6-(2-hydroxypropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]-N-pyrimidin-4-ylacetamide has a molecular weight of 381.44 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-hydroxypropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]-N-pyrimidin-4-ylacetamide is sourced from PubChem (CID 162364047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).