4-amino-6-bromo-7-(1-methylcyclopropyl)-N-(4-propylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide

C20H22BrN5O — CID 155602149

IUPAC4-amino-6-bromo-7-(1-methylcyclopropyl)-N-(4-propylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCCCc1ccc(NC(=O)c2c(Br)n(C3(C)CC3)c3ncnc(N)c23)cc1
InChIInChI=1S/C20H22BrN5O/c1-3-4-12-5-7-13(8-6-12)25-19(27)14-15-17(22)23-11-24-18(15)26(16(14)21)20(2)9-10-20/h5-8,11H,3-4,9-10H2,1-2H3,(H,25,27)(H2,22,23,24)
InChIKeyUOHWVBOXHUTRRP-UHFFFAOYSA-N
MW428.33 g/mol
LogP4.49
Rot. Bonds5

About 4-amino-6-bromo-7-(1-methylcyclopropyl)-N-(4-propylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide

4-amino-6-bromo-7-(1-methylcyclopropyl)-N-(4-propylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 155602149) has the molecular formula C20H22BrN5O and a molecular weight of 428.33 g/mol. Its IUPAC name is 4-amino-6-bromo-7-(1-methylcyclopropyl)-N-(4-propylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-6-bromo-7-(1-methylcyclopropyl)-N-(4-propylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID155602149
Molecular FormulaC20H22BrN5O
Molecular Weight428.33 g/mol
Exact Mass427.10
IUPAC Name4-amino-6-bromo-7-(1-methylcyclopropyl)-N-(4-propylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCCCc1ccc(NC(=O)c2c(Br)n(C3(C)CC3)c3ncnc(N)c23)cc1
InChIInChI=1S/C20H22BrN5O/c1-3-4-12-5-7-13(8-6-12)25-19(27)14-15-17(22)23-11-24-18(15)26(16(14)21)20(2)9-10-20/h5-8,11H,3-4,9-10H2,1-2H3,(H,25,27)(H2,22,23,24)
InChIKeyUOHWVBOXHUTRRP-UHFFFAOYSA-N
XLogP4.49
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.33
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-6-(3-hydroxyprop-1-ynyl)-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 134164154
4-amino-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)-6-(oxan-4-ylmethoxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 134164181
4-amino-6-(3-cyclohexylprop-1-ynyl)-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 134164230
4-amino-1-cyclobutyl-N-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 155602155
methyl 4-amino-6-ethenyl-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 140834532
2-hydrazinyl-2-oxo-N-(4-propylphenyl)acetamide
CID 43378780
6-amino-N-(4-propylphenyl)pyridine-3-carboxamide
CID 62154771
1-amino-N-(4-propylphenyl)cyclopentane-1-carboxamide
CID 54925144
methyl 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 140834530
2,4,5-trimethyl-N-(4-propylphenyl)furan-3-carboxamide
CID 18098041
4-amino-7-tert-butyl-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 134164059
1-[(4-propylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096237

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-bromo-7-(1-methylcyclopropyl)-N-(4-propylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-6-bromo-7-(1-methylcyclopropyl)-N-(4-propylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 155602149) is 4-amino-6-bromo-7-(1-methylcyclopropyl)-N-(4-propylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-6-bromo-7-(1-methylcyclopropyl)-N-(4-propylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-6-bromo-7-(1-methylcyclopropyl)-N-(4-propylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide is CCCc1ccc(NC(=O)c2c(Br)n(C3(C)CC3)c3ncnc(N)c23)cc1.
What is the InChIKey of 4-amino-6-bromo-7-(1-methylcyclopropyl)-N-(4-propylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is UOHWVBOXHUTRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN5O/c1-3-4-12-5-7-13(8-6-12)25-19(27)14-15-17(22)23-11-24-18(15)26(16(14)21)20(2)9-10-20/h5-8,11H,3-4,9-10H2,1-2H3,(H,25,27)(H2,22,23,24).
What are the key properties of 4-amino-6-bromo-7-(1-methylcyclopropyl)-N-(4-propylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
4-amino-6-bromo-7-(1-methylcyclopropyl)-N-(4-propylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 428.33 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-bromo-7-(1-methylcyclopropyl)-N-(4-propylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 155602149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).