1-(4-methoxy-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one

C22H23N3O2 — CID 139421362

IUPAC1-(4-methoxy-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
SMILESCOc1cc(C)c(Nc2nc(=O)cc3n2C(c2ccccc2)CC3)cc1C
InChIInChI=1S/C22H23N3O2/c1-14-12-20(27-3)15(2)11-18(14)23-22-24-21(26)13-17-9-10-19(25(17)22)16-7-5-4-6-8-16/h4-8,11-13,19H,9-10H2,1-3H3,(H,23,24,26)
InChIKeyTYYLWEAWEOSWRV-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.15
Rot. Bonds4

About 1-(4-methoxy-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one

1-(4-methoxy-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (PubChem CID 139421362) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
PubChem CID139421362
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-(4-methoxy-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
SMILESCOc1cc(C)c(Nc2nc(=O)cc3n2C(c2ccccc2)CC3)cc1C
InChIInChI=1S/C22H23N3O2/c1-14-12-20(27-3)15(2)11-18(14)23-22-24-21(26)13-17-9-10-19(25(17)22)16-7-5-4-6-8-16/h4-8,11-13,19H,9-10H2,1-3H3,(H,23,24,26)
InChIKeyTYYLWEAWEOSWRV-UHFFFAOYSA-N
XLogP4.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxy-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
CID 142331767
7-(3,5-difluorophenyl)-1-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
CID 142331807
1-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-4-methoxy-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
CID 139421367
1-benzyl-5-ethoxy-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one
CID 134290688
4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 110418562
7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
CID 139421693
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
1-(1-cyclopropylpropyl)-5-(4-methoxy-2,5-dimethylanilino)-3-methyl-1,2,4-triazin-6-one
CID 46891155
1-[(3-chlorophenyl)methyl]-5-fluoro-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one
CID 134290458
(4S)-2-(2-methoxyanilino)-8-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 135601553
1-methyl-3-phenyl-5-[(3,4,6-trimethylcyclohexa-2,4-dien-1-yl)amino]-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one
CID 142331779
(4S)-2-(2-methoxyanilino)-4-(2-methoxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 136906230

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The IUPAC name of 1-(4-methoxy-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (CID 139421362) is 1-(4-methoxy-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is COc1cc(C)c(Nc2nc(=O)cc3n2C(c2ccccc2)CC3)cc1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The InChIKey is TYYLWEAWEOSWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-12-20(27-3)15(2)11-18(14)23-22-24-21(26)13-17-9-10-19(25(17)22)16-7-5-4-6-8-16/h4-8,11-13,19H,9-10H2,1-3H3,(H,23,24,26).
What are the key properties of 1-(4-methoxy-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
1-(4-methoxy-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one has a molecular weight of 361.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is sourced from PubChem (CID 139421362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).