(4-methoxyphenyl)-(6-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)methanone

C21H20N2O2 — CID 15472012

IUPAC(4-methoxyphenyl)-(6-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)methanone
SMILESCOc1ccc(C(=O)c2cc(-c3ccccc3)n3c2NCCC3)cc1
InChIInChI=1S/C21H20N2O2/c1-25-17-10-8-16(9-11-17)20(24)18-14-19(15-6-3-2-4-7-15)23-13-5-12-22-21(18)23/h2-4,6-11,14,22H,5,12-13H2,1H3
InChIKeyYIMCSNDFZBAWIL-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.21
Rot. Bonds4

About (4-methoxyphenyl)-(6-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)methanone

(4-methoxyphenyl)-(6-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)methanone (PubChem CID 15472012) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is (4-methoxyphenyl)-(6-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(6-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)methanone
PubChem CID15472012
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name(4-methoxyphenyl)-(6-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)methanone
SMILESCOc1ccc(C(=O)c2cc(-c3ccccc3)n3c2NCCC3)cc1
InChIInChI=1S/C21H20N2O2/c1-25-17-10-8-16(9-11-17)20(24)18-14-19(15-6-3-2-4-7-15)23-13-5-12-22-21(18)23/h2-4,6-11,14,22H,5,12-13H2,1H3
InChIKeyYIMCSNDFZBAWIL-UHFFFAOYSA-N
XLogP4.21
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-methoxyphenyl)-(6-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)methanone 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 (4-methoxyphenyl)-(6-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(6-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)methanone (CID 15472012) is (4-methoxyphenyl)-(6-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(6-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(6-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)methanone is COc1ccc(C(=O)c2cc(-c3ccccc3)n3c2NCCC3)cc1.
What is the InChIKey of (4-methoxyphenyl)-(6-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)methanone?
The InChIKey is YIMCSNDFZBAWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-25-17-10-8-16(9-11-17)20(24)18-14-19(15-6-3-2-4-7-15)23-13-5-12-22-21(18)23/h2-4,6-11,14,22H,5,12-13H2,1H3.
What are the key properties of (4-methoxyphenyl)-(6-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)methanone?
(4-methoxyphenyl)-(6-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)methanone has a molecular weight of 332.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(6-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)methanone is sourced from PubChem (CID 15472012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).