N-(3,4-difluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide

C20H18F2N4O2 — CID 53201916

IUPACN-(3,4-difluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide
SMILESCc1cccc(Nc2nc(C)cc(=O)n2CC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C20H18F2N4O2/c1-12-4-3-5-14(8-12)25-20-23-13(2)9-19(28)26(20)11-18(27)24-15-6-7-16(21)17(22)10-15/h3-10H,11H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyHIMZNXDNCXLDJK-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.52
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide

N-(3,4-difluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide (PubChem CID 53201916) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide
PubChem CID53201916
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-(3,4-difluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide
SMILESCc1cccc(Nc2nc(C)cc(=O)n2CC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C20H18F2N4O2/c1-12-4-3-5-14(8-12)25-20-23-13(2)9-19(28)26(20)11-18(27)24-15-6-7-16(21)17(22)10-15/h3-10H,11H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyHIMZNXDNCXLDJK-UHFFFAOYSA-N
XLogP3.52
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide
CID 53201917
N-(3-bromophenyl)-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51364728
N-(3-chlorophenyl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 53201894
N-(4-bromophenyl)-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 50928548
N-[4-(dimethylamino)phenyl]-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51364699
N-methyl-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-phenylacetamide
CID 53201962
N-(1,3-benzodioxol-5-yl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 53201891
N-(3,4-difluorophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110688906
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 91887534
N-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
CID 91887493
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228
2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide
CID 42663674

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide (CID 53201916) is N-(3,4-difluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide is Cc1cccc(Nc2nc(C)cc(=O)n2CC(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is HIMZNXDNCXLDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-12-4-3-5-14(8-12)25-20-23-13(2)9-19(28)26(20)11-18(27)24-15-6-7-16(21)17(22)10-15/h3-10H,11H2,1-2H3,(H,23,25)(H,24,27).
What are the key properties of N-(3,4-difluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide?
N-(3,4-difluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 384.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 53201916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).