6-amino-2-methyl-7-(1,3,5-trimethyl-2-oxo-4-pyridinyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide

C16H18N6O2 — CID 172625947

IUPAC6-amino-2-methyl-7-(1,3,5-trimethyl-2-oxo-4-pyridinyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ncc2c(C(N)=O)c(N)n(-c3c(C)cn(C)c(=O)c3C)c2n1
InChIInChI=1S/C16H18N6O2/c1-7-6-21(4)16(24)8(2)12(7)22-13(17)11(14(18)23)10-5-19-9(3)20-15(10)22/h5-6H,17H2,1-4H3,(H2,18,23)
InChIKeyXBPJIBMJSLXQRM-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.73
Rot. Bonds2

About 6-amino-2-methyl-7-(1,3,5-trimethyl-2-oxo-4-pyridinyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide

6-amino-2-methyl-7-(1,3,5-trimethyl-2-oxo-4-pyridinyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 172625947) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 6-amino-2-methyl-7-(1,3,5-trimethyl-2-oxo-4-pyridinyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-amino-2-methyl-7-(1,3,5-trimethyl-2-oxo-4-pyridinyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID172625947
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name6-amino-2-methyl-7-(1,3,5-trimethyl-2-oxo-4-pyridinyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ncc2c(C(N)=O)c(N)n(-c3c(C)cn(C)c(=O)c3C)c2n1
InChIInChI=1S/C16H18N6O2/c1-7-6-21(4)16(24)8(2)12(7)22-13(17)11(14(18)23)10-5-19-9(3)20-15(10)22/h5-6H,17H2,1-4H3,(H2,18,23)
InChIKeyXBPJIBMJSLXQRM-UHFFFAOYSA-N
XLogP0.73
TPSA121.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 171633879
6-amino-2-methyl-7-(2-methylimidazo[5,1-b][1,3]thiazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 177026966
6-amino-7-(6-chloroimidazo[1,5-a]pyridin-5-yl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 177026995
6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869425
2-amino-5-bromo-1-(3-methoxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869365
2-amino-1-(5-hydroxy-2,4-dimethyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 171619275
2-amino-5-chloro-1-(4,6-dimethyl-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 170638163
2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869557
6-amino-3-(2-cyclopropylethynyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869529
2-amino-6-[[1-(aminomethyl)cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 171784536
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-(1-methylpyrazol-4-yl)-6-oxopyrrolo[3,2-c]pyridine-3-carboxamide
CID 172626007

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-7-(1,3,5-trimethyl-2-oxo-4-pyridinyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-amino-2-methyl-7-(1,3,5-trimethyl-2-oxo-4-pyridinyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 172625947) is 6-amino-2-methyl-7-(1,3,5-trimethyl-2-oxo-4-pyridinyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-amino-2-methyl-7-(1,3,5-trimethyl-2-oxo-4-pyridinyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-amino-2-methyl-7-(1,3,5-trimethyl-2-oxo-4-pyridinyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide is Cc1ncc2c(C(N)=O)c(N)n(-c3c(C)cn(C)c(=O)c3C)c2n1.
What is the InChIKey of 6-amino-2-methyl-7-(1,3,5-trimethyl-2-oxo-4-pyridinyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is XBPJIBMJSLXQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-7-6-21(4)16(24)8(2)12(7)22-13(17)11(14(18)23)10-5-19-9(3)20-15(10)22/h5-6H,17H2,1-4H3,(H2,18,23).
What are the key properties of 6-amino-2-methyl-7-(1,3,5-trimethyl-2-oxo-4-pyridinyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
6-amino-2-methyl-7-(1,3,5-trimethyl-2-oxo-4-pyridinyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-7-(1,3,5-trimethyl-2-oxo-4-pyridinyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 172625947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).