4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

C13H13N5 — CID 25164369

IUPAC4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESCCc1cc(-c2c[nH]c3ncccc23)nc(N)n1
InChIInChI=1S/C13H13N5/c1-2-8-6-11(18-13(14)17-8)10-7-16-12-9(10)4-3-5-15-12/h3-7H,2H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyUVEAOKWJPIHOQT-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.16
Rot. Bonds2

About 4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 25164369) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
PubChem CID25164369
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESCCc1cc(-c2c[nH]c3ncccc23)nc(N)n1
InChIInChI=1S/C13H13N5/c1-2-8-6-11(18-13(14)17-8)10-7-16-12-9(10)4-3-5-15-12/h3-7H,2H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyUVEAOKWJPIHOQT-UHFFFAOYSA-N
XLogP2.16
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]butan-1-ol
CID 25164970
4-[3-(1-methylpiperidin-4-yl)propyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 25164771
4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;methane;pent-2-ynoyl chloride;1H-pyrrolo[2,3-b]pyridine;1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-yn-1-one;trichloroalumane
CID 158816347
4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 58425566
3-(2-amino-6-ethylpyrimidin-4-yl)-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 44594272
4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine
CID 158107406
4-ethyl-6-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 25165174
ethane;1H-pyrrolo[2,3-b]pyridin-3-amine
CID 142426313
4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 129206992
4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine
CID 158331636
2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine
CID 166338323
5-bromo-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 127049686

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (CID 25164369) is 4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is CCc1cc(-c2c[nH]c3ncccc23)nc(N)n1.
What is the InChIKey of 4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is UVEAOKWJPIHOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-2-8-6-11(18-13(14)17-8)10-7-16-12-9(10)4-3-5-15-12/h3-7H,2H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 25164369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).