dimethyl 7-benzoyl-3-methylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate

C19H16N2O5 — CID 11451009

IUPACdimethyl 7-benzoyl-3-methylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2cc(C)ncn2c1C(=O)c1ccccc1
InChIInChI=1S/C19H16N2O5/c1-11-9-13-14(18(23)25-2)15(19(24)26-3)16(21(13)10-20-11)17(22)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKeyCSMBOPDGYKQUDQ-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.45
Rot. Bonds4

About dimethyl 7-benzoyl-3-methylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate

dimethyl 7-benzoyl-3-methylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate (PubChem CID 11451009) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is dimethyl 7-benzoyl-3-methylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 7-benzoyl-3-methylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
PubChem CID11451009
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Namedimethyl 7-benzoyl-3-methylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2cc(C)ncn2c1C(=O)c1ccccc1
InChIInChI=1S/C19H16N2O5/c1-11-9-13-14(18(23)25-2)15(19(24)26-3)16(21(13)10-20-11)17(22)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKeyCSMBOPDGYKQUDQ-UHFFFAOYSA-N
XLogP2.45
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

dimethyl 7-(4-bromobenzoyl)-3-methylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
CID 15482593
1-O,2-O-dimethyl 7-O-propan-2-yl 3-benzoylindolizine-1,2,7-tricarboxylate
CID 170341547
dimethyl 7-(3,4-dimethoxybenzoyl)-3-(3,4-dimethoxyphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
CID 4188652
dimethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate
CID 44612996
dimethyl 3-(4-methoxyphenyl)-7-(3-nitrobenzoyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
CID 4532121
dimethyl 1-(4-fluorobenzoyl)-5-methylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate
CID 983216
diethyl 7-(4-chlorobenzoyl)-3-(2-fluorophenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
CID 51056543
dimethyl 3-(3,4-dimethoxybenzoyl)-7-(dimethylamino)indolizine-1,2-dicarboxylate
CID 118723974
dimethyl 2,5-dibenzoyl-1-cyclohexylpyrrole-3,4-dicarboxylate
CID 10504659
3-benzoyl-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methoxycarbonylindolizine-7-carboxylic acid
CID 141459299
dimethyl 1-benzoyl-6H-indeno[1,2-e]indolizine-2,3-dicarboxylate
CID 12523204
dimethyl 3-benzoylpyrrolo[2,1-a]phthalazine-1,2-dicarboxylate
CID 988016

Frequently Asked Questions

What is the IUPAC name of dimethyl 7-benzoyl-3-methylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate?
The IUPAC name of dimethyl 7-benzoyl-3-methylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate (CID 11451009) is dimethyl 7-benzoyl-3-methylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate.
What is the SMILES notation for dimethyl 7-benzoyl-3-methylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate?
The canonical SMILES for dimethyl 7-benzoyl-3-methylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate is COC(=O)c1c(C(=O)OC)c2cc(C)ncn2c1C(=O)c1ccccc1.
What is the InChIKey of dimethyl 7-benzoyl-3-methylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate?
The InChIKey is CSMBOPDGYKQUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-11-9-13-14(18(23)25-2)15(19(24)26-3)16(21(13)10-20-11)17(22)12-7-5-4-6-8-12/h4-10H,1-3H3.
What are the key properties of dimethyl 7-benzoyl-3-methylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate?
dimethyl 7-benzoyl-3-methylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate has a molecular weight of 352.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 7-benzoyl-3-methylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate is sourced from PubChem (CID 11451009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).