N-(1,3-benzodioxol-5-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide

C17H15N3O3 — CID 121330122

IUPACN-(1,3-benzodioxol-5-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)Nc3ccc4c(c3)OCO4)c2n1
InChIInChI=1S/C17H15N3O3/c1-10-7-11(2)20-6-5-13(16(20)18-10)17(21)19-12-3-4-14-15(8-12)23-9-22-14/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyYFUQFQSLRIRHOS-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.93
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide

N-(1,3-benzodioxol-5-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 121330122) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID121330122
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)Nc3ccc4c(c3)OCO4)c2n1
InChIInChI=1S/C17H15N3O3/c1-10-7-11(2)20-6-5-13(16(20)18-10)17(21)19-12-3-4-14-15(8-12)23-9-22-14/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyYFUQFQSLRIRHOS-UHFFFAOYSA-N
XLogP2.93
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136523125
N-(2,3-dihydro-1-benzofuran-4-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 146432138
2-amino-N-(1,3-benzodioxol-5-yl)-5-methylbenzamide
CID 62059841
N-(1,3-benzodioxol-5-yl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506218
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823250
N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
CID 71707580
(4-methylphenyl) 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate
CID 161107114
N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 38766637
N-(1,3-benzodioxol-5-yl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110863263
N-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619555
N-(1,3-benzodioxol-5-yl)-2-hydroxy-5-methylbenzamide
CID 16573543
N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide
CID 82786917

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 121330122) is N-(1,3-benzodioxol-5-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1cc(C)n2ccc(C(=O)Nc3ccc4c(c3)OCO4)c2n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is YFUQFQSLRIRHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10-7-11(2)20-6-5-13(16(20)18-10)17(21)19-12-3-4-14-15(8-12)23-9-22-14/h3-8H,9H2,1-2H3,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
N-(1,3-benzodioxol-5-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121330122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).