2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-propan-2-ylphenyl)acetamide

C17H21N3O2 — CID 136890117

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCc1nc(C)c(CC(=O)Nc2ccccc2C(C)C)c(=O)[nH]1
InChIInChI=1S/C17H21N3O2/c1-10(2)13-7-5-6-8-15(13)20-16(21)9-14-11(3)18-12(4)19-17(14)22/h5-8,10H,9H2,1-4H3,(H,20,21)(H,18,19,22)
InChIKeyMDWBRRQQAHSPBQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.69
Rot. Bonds4

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-propan-2-ylphenyl)acetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 136890117) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-propan-2-ylphenyl)acetamide
PubChem CID136890117
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCc1nc(C)c(CC(=O)Nc2ccccc2C(C)C)c(=O)[nH]1
InChIInChI=1S/C17H21N3O2/c1-10(2)13-7-5-6-8-15(13)20-16(21)9-14-11(3)18-12(4)19-17(14)22/h5-8,10H,9H2,1-4H3,(H,20,21)(H,18,19,22)
InChIKeyMDWBRRQQAHSPBQ-UHFFFAOYSA-N
XLogP2.69
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136669960
N-(2-tert-butylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136890125
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 135896922
3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 137296539
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 135888063
N-(2,6-difluorophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136670006
N-(2,5-dichlorophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136669983
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N'-[2-(trifluoromethyl)phenyl]acetohydrazide
CID 135931990
N-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136890172
N-(2-benzylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135676896
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 135956419
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 135896930

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-propan-2-ylphenyl)acetamide (CID 136890117) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-propan-2-ylphenyl)acetamide is Cc1nc(C)c(CC(=O)Nc2ccccc2C(C)C)c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is MDWBRRQQAHSPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-10(2)13-7-5-6-8-15(13)20-16(21)9-14-11(3)18-12(4)19-17(14)22/h5-8,10H,9H2,1-4H3,(H,20,21)(H,18,19,22).
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-propan-2-ylphenyl)acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 136890117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).