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

C14H13F2N3O2 — CID 136670006

IUPACN-(2,6-difluorophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)Nc2c(F)cccc2F)c(=O)[nH]1
InChIInChI=1S/C14H13F2N3O2/c1-7-9(14(21)18-8(2)17-7)6-12(20)19-13-10(15)4-3-5-11(13)16/h3-5H,6H2,1-2H3,(H,19,20)(H,17,18,21)
InChIKeyCCJHHEAMVRSWMN-UHFFFAOYSA-N
MW293.27 g/mol
LogP1.85
Rot. Bonds3

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

N-(2,6-difluorophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 136670006) has the molecular formula C14H13F2N3O2 and a molecular weight of 293.27 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID136670006
Molecular FormulaC14H13F2N3O2
Molecular Weight293.27 g/mol
Exact Mass293.10
IUPAC NameN-(2,6-difluorophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)Nc2c(F)cccc2F)c(=O)[nH]1
InChIInChI=1S/C14H13F2N3O2/c1-7-9(14(21)18-8(2)17-7)6-12(20)19-13-10(15)4-3-5-11(13)16/h3-5H,6H2,1-2H3,(H,19,20)(H,17,18,21)
InChIKeyCCJHHEAMVRSWMN-UHFFFAOYSA-N
XLogP1.85
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 135956419
N-(2-bromophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136669960
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 135896930
N-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136890172
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-propan-2-ylphenyl)acetamide
CID 136890117
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-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 135888063
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N'-[2-(trifluoromethyl)phenyl]acetohydrazide
CID 135931990
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-fluorophenyl)propanamide
CID 135893498
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 136890158

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 136670006) is N-(2,6-difluorophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is Cc1nc(C)c(CC(=O)Nc2c(F)cccc2F)c(=O)[nH]1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is CCJHHEAMVRSWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O2/c1-7-9(14(21)18-8(2)17-7)6-12(20)19-13-10(15)4-3-5-11(13)16/h3-5H,6H2,1-2H3,(H,19,20)(H,17,18,21).
What are the key properties of N-(2,6-difluorophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-(2,6-difluorophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 293.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 136670006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).