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

C21H20ClN3O — CID 142331767

IUPAC1-(4-chloro-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
SMILESCc1cc(Nc2nc(=O)cc3n2C(c2ccccc2)CC3)c(C)cc1Cl
InChIInChI=1S/C21H20ClN3O/c1-13-11-18(14(2)10-17(13)22)23-21-24-20(26)12-16-8-9-19(25(16)21)15-6-4-3-5-7-15/h3-7,10-12,19H,8-9H2,1-2H3,(H,23,24,26)
InChIKeyRWKDJUAMUVUQQL-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.79
Rot. Bonds3

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

1-(4-chloro-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (PubChem CID 142331767) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
PubChem CID142331767
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name1-(4-chloro-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
SMILESCc1cc(Nc2nc(=O)cc3n2C(c2ccccc2)CC3)c(C)cc1Cl
InChIInChI=1S/C21H20ClN3O/c1-13-11-18(14(2)10-17(13)22)23-21-24-20(26)12-16-8-9-19(25(16)21)15-6-4-3-5-7-15/h3-7,10-12,19H,8-9H2,1-2H3,(H,23,24,26)
InChIKeyRWKDJUAMUVUQQL-UHFFFAOYSA-N
XLogP4.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The IUPAC name of 1-(4-chloro-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (CID 142331767) is 1-(4-chloro-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one.
What is the SMILES notation for 1-(4-chloro-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The canonical SMILES for 1-(4-chloro-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is Cc1cc(Nc2nc(=O)cc3n2C(c2ccccc2)CC3)c(C)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The InChIKey is RWKDJUAMUVUQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-13-11-18(14(2)10-17(13)22)23-21-24-20(26)12-16-8-9-19(25(16)21)15-6-4-3-5-7-15/h3-7,10-12,19H,8-9H2,1-2H3,(H,23,24,26).
What are the key properties of 1-(4-chloro-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
1-(4-chloro-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one has a molecular weight of 365.86 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is sourced from PubChem (CID 142331767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).