1-(3-chloro-2-methylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one

C20H18ClN3O — CID 139421645

IUPAC1-(3-chloro-2-methylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
SMILESCc1c(Cl)cccc1Nc1nc(=O)cc2n1C(c1ccccc1)CC2
InChIInChI=1S/C20H18ClN3O/c1-13-16(21)8-5-9-17(13)22-20-23-19(25)12-15-10-11-18(24(15)20)14-6-3-2-4-7-14/h2-9,12,18H,10-11H2,1H3,(H,22,23,25)
InChIKeyCEAGMDYNVKIBMH-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.48
Rot. Bonds3

About 1-(3-chloro-2-methylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one

1-(3-chloro-2-methylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (PubChem CID 139421645) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is 1-(3-chloro-2-methylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one.

Molecular Properties

Compound Name1-(3-chloro-2-methylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
PubChem CID139421645
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name1-(3-chloro-2-methylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
SMILESCc1c(Cl)cccc1Nc1nc(=O)cc2n1C(c1ccccc1)CC2
InChIInChI=1S/C20H18ClN3O/c1-13-16(21)8-5-9-17(13)22-20-23-19(25)12-15-10-11-18(24(15)20)14-6-3-2-4-7-14/h2-9,12,18H,10-11H2,1H3,(H,22,23,25)
InChIKeyCEAGMDYNVKIBMH-UHFFFAOYSA-N
XLogP4.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-2-methylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one with MolForge

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Related Compounds

Quazinone
CID 135418296
2-(4-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594369
5-(3-Chloro-2-methylanilino)-3-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-7-one
CID 139421463
2-(3-Chloro-2-methyl-phenylamino)-6-methyl-3H-pyrimidin-4-one
CID 135538485
1-Benzyl-2-(3-chloro-2-methylanilino)-5-fluoropyrimidin-4-one
CID 134290150
1-[(3-Chlorophenyl)methyl]-2-(2-ethylanilino)-5-fluoropyrimidin-4-one
CID 134290232
1-benzyl-2-(3-chloro-2-methylanilino)-4-oxo-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 134290323
1-Benzyl-2-(3-chloro-2-methylanilino)-5-(trifluoromethyl)pyrimidin-4-one
CID 134290508
2-(3-Chloro-2-methylanilino)-1-[(3,4-difluorophenyl)methyl]-5-fluoropyrimidin-4-one
CID 134290519
5-Chloro-2-(3-chloro-2-methylanilino)-1-[(3,4-difluorophenyl)methyl]pyrimidin-4-one
CID 134290530
1-[(3-Chlorophenyl)methyl]-2-(2,3-dimethylanilino)-5-fluoropyrimidin-4-one
CID 134290665
2-(3-Chloro-2-methylanilino)-5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidin-4-one
CID 134290690

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The IUPAC name of 1-(3-chloro-2-methylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (CID 139421645) is 1-(3-chloro-2-methylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one.
What is the SMILES notation for 1-(3-chloro-2-methylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The canonical SMILES for 1-(3-chloro-2-methylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is Cc1c(Cl)cccc1Nc1nc(=O)cc2n1C(c1ccccc1)CC2.
What is the InChIKey of 1-(3-chloro-2-methylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The InChIKey is CEAGMDYNVKIBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-13-16(21)8-5-9-17(13)22-20-23-19(25)12-15-10-11-18(24(15)20)14-6-3-2-4-7-14/h2-9,12,18H,10-11H2,1H3,(H,22,23,25).
What are the key properties of 1-(3-chloro-2-methylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
1-(3-chloro-2-methylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one has a molecular weight of 351.84 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is sourced from PubChem (CID 139421645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).