6-benzoyl-5-(3-chlorophenyl)-2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C20H14ClN3O2 — CID 136951110

IUPAC6-benzoyl-5-(3-chlorophenyl)-2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1nc2[nH]c(C(=O)c3ccccc3)c(-c3cccc(Cl)c3)c2c(=O)[nH]1
InChIInChI=1S/C20H14ClN3O2/c1-11-22-19-16(20(26)23-11)15(13-8-5-9-14(21)10-13)17(24-19)18(25)12-6-3-2-4-7-12/h2-10H,1H3,(H2,22,23,24,26)
InChIKeyGUTOAQSFSWJYTL-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.11
Rot. Bonds3

About 6-benzoyl-5-(3-chlorophenyl)-2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

6-benzoyl-5-(3-chlorophenyl)-2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 136951110) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is 6-benzoyl-5-(3-chlorophenyl)-2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-benzoyl-5-(3-chlorophenyl)-2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID136951110
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Name6-benzoyl-5-(3-chlorophenyl)-2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1nc2[nH]c(C(=O)c3ccccc3)c(-c3cccc(Cl)c3)c2c(=O)[nH]1
InChIInChI=1S/C20H14ClN3O2/c1-11-22-19-16(20(26)23-11)15(13-8-5-9-14(21)10-13)17(24-19)18(25)12-6-3-2-4-7-12/h2-10H,1H3,(H2,22,23,24,26)
InChIKeyGUTOAQSFSWJYTL-UHFFFAOYSA-N
XLogP4.11
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-benzoyl-2-[3-(methylsulfanyl)propyl]-5-phenyl-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137226418
6-Benzoyl-2-pent-4-ynyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136053645
6-Benzoyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136219305
6-Benzoyl-5-(3-chlorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136239337
6-Benzoyl-5-(3-iodophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136244577
6-Benzoyl-2-methyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136951107
(5-amino-4-(3,4-dichlorobenzoyl)-3-(2,4-dichlorophenyl)-1H-pyrrol-2-yl)(phenyl)methanone
CID 53299922
6-Benzoyl-5-(3-fluorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136219306
2-Amino-5,6-bis(4-chlorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137100790
2-Amino-5-(3-chlorophenyl)-6-(4-fluorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137100795
6-Benzoyl-2-but-3-ynyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137189928
Ethyl 5-(6-benzoyl-4-oxo-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)pentanoate
CID 137226346

Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-5-(3-chlorophenyl)-2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-benzoyl-5-(3-chlorophenyl)-2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 136951110) is 6-benzoyl-5-(3-chlorophenyl)-2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-benzoyl-5-(3-chlorophenyl)-2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-benzoyl-5-(3-chlorophenyl)-2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Cc1nc2[nH]c(C(=O)c3ccccc3)c(-c3cccc(Cl)c3)c2c(=O)[nH]1.
What is the InChIKey of 6-benzoyl-5-(3-chlorophenyl)-2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is GUTOAQSFSWJYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c1-11-22-19-16(20(26)23-11)15(13-8-5-9-14(21)10-13)17(24-19)18(25)12-6-3-2-4-7-12/h2-10H,1H3,(H2,22,23,24,26).
What are the key properties of 6-benzoyl-5-(3-chlorophenyl)-2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
6-benzoyl-5-(3-chlorophenyl)-2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 363.80 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-5-(3-chlorophenyl)-2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 136951110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).