2,4-dimethyl-N-(9-oxofluoren-2-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide

C23H17N3O2 — CID 146432447

IUPAC2,4-dimethyl-N-(9-oxofluoren-2-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3-4)c2n1
InChIInChI=1S/C23H17N3O2/c1-13-11-14(2)26-10-9-19(22(26)24-13)23(28)25-15-7-8-17-16-5-3-4-6-18(16)21(27)20(17)12-15/h3-12H,1-2H3,(H,25,28)
InChIKeyTUDIJYSRFWCYIL-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.41
Rot. Bonds2

About 2,4-dimethyl-N-(9-oxofluoren-2-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide

2,4-dimethyl-N-(9-oxofluoren-2-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 146432447) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2,4-dimethyl-N-(9-oxofluoren-2-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(9-oxofluoren-2-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID146432447
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name2,4-dimethyl-N-(9-oxofluoren-2-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3-4)c2n1
InChIInChI=1S/C23H17N3O2/c1-13-11-14(2)26-10-9-19(22(26)24-13)23(28)25-15-7-8-17-16-5-3-4-6-18(16)21(27)20(17)12-15/h3-12H,1-2H3,(H,25,28)
InChIKeyTUDIJYSRFWCYIL-UHFFFAOYSA-N
XLogP4.41
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(9-oxofluoren-2-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(9-oxofluoren-2-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 146432447) is 2,4-dimethyl-N-(9-oxofluoren-2-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(9-oxofluoren-2-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(9-oxofluoren-2-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1cc(C)n2ccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3-4)c2n1.
What is the InChIKey of 2,4-dimethyl-N-(9-oxofluoren-2-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is TUDIJYSRFWCYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c1-13-11-14(2)26-10-9-19(22(26)24-13)23(28)25-15-7-8-17-16-5-3-4-6-18(16)21(27)20(17)12-15/h3-12H,1-2H3,(H,25,28).
What are the key properties of 2,4-dimethyl-N-(9-oxofluoren-2-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
2,4-dimethyl-N-(9-oxofluoren-2-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(9-oxofluoren-2-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 146432447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).