6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide

C17H19N5O2 — CID 171633879

IUPAC6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCCc1ncc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2n1
InChIInChI=1S/C17H19N5O2/c1-4-12-20-7-10-13(16(19)24)15(18)22(17(10)21-12)14-8(2)5-6-11(23)9(14)3/h5-7,23H,4,18H2,1-3H3,(H2,19,24)
InChIKeyCQFQRUVFFDEVLO-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.99
Rot. Bonds3

About 6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide

6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 171633879) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID171633879
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCCc1ncc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2n1
InChIInChI=1S/C17H19N5O2/c1-4-12-20-7-10-13(16(19)24)15(18)22(17(10)21-12)14-8(2)5-6-11(23)9(14)3/h5-7,23H,4,18H2,1-3H3,(H2,19,24)
InChIKeyCQFQRUVFFDEVLO-UHFFFAOYSA-N
XLogP1.99
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869425
2-amino-6-butan-2-yl-7-fluoro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
CID 170638022
2-amino-6-[[1-(aminomethyl)cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 171784536
potassium;2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-methanidyl-6-(methylamino)pyrrolo[3,2-c]pyridine-3-carboxamide;carbanide
CID 178110771
2-amino-6-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 171784552
6-amino-3-(2-cyclopropylethynyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869529
5-amino-4-(3-hydroxy-2,6-dimethylphenyl)-2,4,8,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10,12-hexaene-6-carboxamide
CID 168731077
11-amino-10-(3-hydroxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide
CID 169238429
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(2-hydroxypyrrolidin-1-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 166783590
6-amino-2-methyl-7-(1,3,5-trimethyl-2-oxo-4-pyridinyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 172625947
6-amino-2-(1,3-benzothiazol-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869406
6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-4-(1,3-thiazol-5-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 176792247

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 171633879) is 6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide is CCc1ncc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2n1.
What is the InChIKey of 6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is CQFQRUVFFDEVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-4-12-20-7-10-13(16(19)24)15(18)22(17(10)21-12)14-8(2)5-6-11(23)9(14)3/h5-7,23H,4,18H2,1-3H3,(H2,19,24).
What are the key properties of 6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 171633879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).