2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide

C15H16FN3O2 — CID 135956419

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCc1nc(C)c(CC(=O)NCc2ccccc2F)c(=O)[nH]1
InChIInChI=1S/C15H16FN3O2/c1-9-12(15(21)19-10(2)18-9)7-14(20)17-8-11-5-3-4-6-13(11)16/h3-6H,7-8H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyKYZMGOHPNSANKD-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.38
Rot. Bonds4

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 135956419) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID135956419
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCc1nc(C)c(CC(=O)NCc2ccccc2F)c(=O)[nH]1
InChIInChI=1S/C15H16FN3O2/c1-9-12(15(21)19-10(2)18-9)7-14(20)17-8-11-5-3-4-6-13(11)16/h3-6H,7-8H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyKYZMGOHPNSANKD-UHFFFAOYSA-N
XLogP1.38
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136670006
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 135956418
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N'-[2-(trifluoromethyl)phenyl]acetohydrazide
CID 135931990
2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide
CID 135952841
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136665153
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 135676897
N-(2-tert-butylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136890125
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-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
CID 136662014
N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331083
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 135930642
N-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136890172

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide (CID 135956419) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide is Cc1nc(C)c(CC(=O)NCc2ccccc2F)c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is KYZMGOHPNSANKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-9-12(15(21)19-10(2)18-9)7-14(20)17-8-11-5-3-4-6-13(11)16/h3-6H,7-8H2,1-2H3,(H,17,20)(H,18,19,21).
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 289.31 g/mol, XLogP of 1.38, 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-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 135956419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).