4-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

C13H13N5O — CID 24801697

IUPAC4-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
InChIInChI=1S/C13H13N5O/c1-2-19-10-4-6-15-12-11(10)8(7-17-12)9-3-5-16-13(14)18-9/h3-7H,2H2,1H3,(H,15,17)(H2,14,16,18)
InChIKeyCJJMNECGBUPMAV-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.00
Rot. Bonds3

About 4-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

4-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 24801697) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
PubChem CID24801697
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name4-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
InChIInChI=1S/C13H13N5O/c1-2-19-10-4-6-15-12-11(10)8(7-17-12)9-3-5-16-13(14)18-9/h3-7H,2H2,1H3,(H,15,17)(H2,14,16,18)
InChIKeyCJJMNECGBUPMAV-UHFFFAOYSA-N
XLogP2.00
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Plx-5622
CID 52936034
Gdc-0425
CID 58266779
Byk-191023
CID 10308091
6-Chloro-N4-[3,5-difluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,4-pyrimidinediamine
CID 11524200
Meriolin 3
CID 23727981
Meriolin 5
CID 23727982
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 34
CID 6538787
Rwj-68354
CID 9819053
Type II inhibitor, 5
CID 16061468
6-(1H-indol-5-yloxy)-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646047
5-[(1E)-(methoxyimino)methyl]-6-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646049

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (CID 24801697) is 4-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is CCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12.
What is the InChIKey of 4-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is CJJMNECGBUPMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-2-19-10-4-6-15-12-11(10)8(7-17-12)9-3-5-16-13(14)18-9/h3-7H,2H2,1H3,(H,15,17)(H2,14,16,18).
What are the key properties of 4-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
4-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 255.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 24801697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).