dimethyl 7-(3,4-dimethoxybenzoyl)-3-(3-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate

C27H24N2O7 — CID 4188650

IUPACdimethyl 7-(3,4-dimethoxybenzoyl)-3-(3-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2cc(-c3cccc(C)c3)ncn2c1C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C27H24N2O7/c1-15-7-6-8-16(11-15)18-13-19-22(26(31)35-4)23(27(32)36-5)24(29(19)14-28-18)25(30)17-9-10-20(33-2)21(12-17)34-3/h6-14H,1-5H3
InChIKeyXXTGZSGHOOZONT-UHFFFAOYSA-N
MW488.50 g/mol
LogP4.13
Rot. Bonds7

About dimethyl 7-(3,4-dimethoxybenzoyl)-3-(3-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate

dimethyl 7-(3,4-dimethoxybenzoyl)-3-(3-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate (PubChem CID 4188650) has the molecular formula C27H24N2O7 and a molecular weight of 488.50 g/mol. Its IUPAC name is dimethyl 7-(3,4-dimethoxybenzoyl)-3-(3-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 7-(3,4-dimethoxybenzoyl)-3-(3-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
PubChem CID4188650
Molecular FormulaC27H24N2O7
Molecular Weight488.50 g/mol
Exact Mass488.16
IUPAC Namedimethyl 7-(3,4-dimethoxybenzoyl)-3-(3-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2cc(-c3cccc(C)c3)ncn2c1C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C27H24N2O7/c1-15-7-6-8-16(11-15)18-13-19-22(26(31)35-4)23(27(32)36-5)24(29(19)14-28-18)25(30)17-9-10-20(33-2)21(12-17)34-3/h6-14H,1-5H3
InChIKeyXXTGZSGHOOZONT-UHFFFAOYSA-N
XLogP4.13
TPSA105.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

dimethyl 7-(3,4-dimethoxybenzoyl)-3-(3,4-dimethoxyphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
CID 4188652
dimethyl 3-(3,4-dimethoxybenzoyl)-7-(dimethylamino)indolizine-1,2-dicarboxylate
CID 118723974
dimethyl 7-benzoyl-3-methylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
CID 11451009
methyl 5-(3-methylphenyl)pyrimidine-2-carboxylate
CID 142526825
ethyl 5-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]-1-(3-methylphenyl)pyrazole-3-carboxylate
CID 46094009
methyl 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117130742
methyl 4-(3,4-dimethoxybenzoyl)-5-phenylfuran-3-carboxylate
CID 56955599
diethyl 7-(4-chlorobenzoyl)-3-(2-fluorophenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
CID 51056543
1-(3,4-dimethoxyphenyl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 1264554
(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanone
CID 12623269
(Z)-3-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enoic acid
CID 19421560
3-methoxy-4-[(3-methylphenyl)methoxy]benzamide
CID 6460672

Frequently Asked Questions

What is the IUPAC name of dimethyl 7-(3,4-dimethoxybenzoyl)-3-(3-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate?
The IUPAC name of dimethyl 7-(3,4-dimethoxybenzoyl)-3-(3-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate (CID 4188650) is dimethyl 7-(3,4-dimethoxybenzoyl)-3-(3-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate.
What is the SMILES notation for dimethyl 7-(3,4-dimethoxybenzoyl)-3-(3-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate?
The canonical SMILES for dimethyl 7-(3,4-dimethoxybenzoyl)-3-(3-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate is COC(=O)c1c(C(=O)OC)c2cc(-c3cccc(C)c3)ncn2c1C(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of dimethyl 7-(3,4-dimethoxybenzoyl)-3-(3-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate?
The InChIKey is XXTGZSGHOOZONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O7/c1-15-7-6-8-16(11-15)18-13-19-22(26(31)35-4)23(27(32)36-5)24(29(19)14-28-18)25(30)17-9-10-20(33-2)21(12-17)34-3/h6-14H,1-5H3.
What are the key properties of dimethyl 7-(3,4-dimethoxybenzoyl)-3-(3-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate?
dimethyl 7-(3,4-dimethoxybenzoyl)-3-(3-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate has a molecular weight of 488.50 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 7-(3,4-dimethoxybenzoyl)-3-(3-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate is sourced from PubChem (CID 4188650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).