2-(3-chloro-2-methylanilino)-5-methoxy-1-(2-phenylethyl)pyrimidin-4-one

C20H20ClN3O2 — CID 134290373

IUPAC2-(3-chloro-2-methylanilino)-5-methoxy-1-(2-phenylethyl)pyrimidin-4-one
SMILESCOc1cn(CCc2ccccc2)c(Nc2cccc(Cl)c2C)nc1=O
InChIInChI=1S/C20H20ClN3O2/c1-14-16(21)9-6-10-17(14)22-20-23-19(25)18(26-2)13-24(20)12-11-15-7-4-3-5-8-15/h3-10,13H,11-12H2,1-2H3,(H,22,23,25)
InChIKeyZLUAIRUVZZWIHJ-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.20
Rot. Bonds6

About 2-(3-chloro-2-methylanilino)-5-methoxy-1-(2-phenylethyl)pyrimidin-4-one

2-(3-chloro-2-methylanilino)-5-methoxy-1-(2-phenylethyl)pyrimidin-4-one (PubChem CID 134290373) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)-5-methoxy-1-(2-phenylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)-5-methoxy-1-(2-phenylethyl)pyrimidin-4-one
PubChem CID134290373
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name2-(3-chloro-2-methylanilino)-5-methoxy-1-(2-phenylethyl)pyrimidin-4-one
SMILESCOc1cn(CCc2ccccc2)c(Nc2cccc(Cl)c2C)nc1=O
InChIInChI=1S/C20H20ClN3O2/c1-14-16(21)9-6-10-17(14)22-20-23-19(25)18(26-2)13-24(20)12-11-15-7-4-3-5-8-15/h3-10,13H,11-12H2,1-2H3,(H,22,23,25)
InChIKeyZLUAIRUVZZWIHJ-UHFFFAOYSA-N
XLogP4.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-Chloro-2-methylanilino)-3-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-7-one
CID 139421463
1-(3-chloro-2-methylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
CID 139421645
1-Benzyl-2-(3-chloro-2-methylanilino)-5-fluoropyrimidin-4-one
CID 134290150
2-[2-Chloro-3-(trifluoromethyl)anilino]-5-methoxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 134290160
1-Benzyl-2-[2-chloro-3-(trifluoromethyl)anilino]-5-methoxypyrimidin-4-one
CID 134290165
2-(3-Chloro-2-methylanilino)-1-[(3-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290196
2-[2-Chloro-3-(trifluoromethyl)anilino]-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290204
2-(3-Chloro-2-methylanilino)-1-[(3,4-difluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290228
1-[(3-Chlorophenyl)methyl]-2-(2-ethylanilino)-5-fluoropyrimidin-4-one
CID 134290232
2-(2,3-Dimethylanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290253
2-(2-Ethylanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290260
1-Benzyl-2-(3-chloro-2-methylanilino)-5-(2,2,2-trifluoroethoxy)pyrimidin-4-one
CID 134290269

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)-5-methoxy-1-(2-phenylethyl)pyrimidin-4-one?
The IUPAC name of 2-(3-chloro-2-methylanilino)-5-methoxy-1-(2-phenylethyl)pyrimidin-4-one (CID 134290373) is 2-(3-chloro-2-methylanilino)-5-methoxy-1-(2-phenylethyl)pyrimidin-4-one.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)-5-methoxy-1-(2-phenylethyl)pyrimidin-4-one?
The canonical SMILES for 2-(3-chloro-2-methylanilino)-5-methoxy-1-(2-phenylethyl)pyrimidin-4-one is COc1cn(CCc2ccccc2)c(Nc2cccc(Cl)c2C)nc1=O.
What is the InChIKey of 2-(3-chloro-2-methylanilino)-5-methoxy-1-(2-phenylethyl)pyrimidin-4-one?
The InChIKey is ZLUAIRUVZZWIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-14-16(21)9-6-10-17(14)22-20-23-19(25)18(26-2)13-24(20)12-11-15-7-4-3-5-8-15/h3-10,13H,11-12H2,1-2H3,(H,22,23,25).
What are the key properties of 2-(3-chloro-2-methylanilino)-5-methoxy-1-(2-phenylethyl)pyrimidin-4-one?
2-(3-chloro-2-methylanilino)-5-methoxy-1-(2-phenylethyl)pyrimidin-4-one has a molecular weight of 369.85 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylanilino)-5-methoxy-1-(2-phenylethyl)pyrimidin-4-one is sourced from PubChem (CID 134290373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).