4-(6-methyl-2-propylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine

C15H16N4 — CID 70774610

IUPAC4-(6-methyl-2-propylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCCc1nc(C)cc(-c2ccnc3[nH]ccc23)n1
InChIInChI=1S/C15H16N4/c1-3-4-14-18-10(2)9-13(19-14)11-5-7-16-15-12(11)6-8-17-15/h5-9H,3-4H2,1-2H3,(H,16,17)
InChIKeyAMXSVAXCWFDDLI-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.28
Rot. Bonds3

About 4-(6-methyl-2-propylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine

4-(6-methyl-2-propylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 70774610) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-(6-methyl-2-propylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(6-methyl-2-propylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID70774610
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name4-(6-methyl-2-propylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCCc1nc(C)cc(-c2ccnc3[nH]ccc23)n1
InChIInChI=1S/C15H16N4/c1-3-4-14-18-10(2)9-13(19-14)11-5-7-16-15-12(11)6-8-17-15/h5-9H,3-4H2,1-2H3,(H,16,17)
InChIKeyAMXSVAXCWFDDLI-UHFFFAOYSA-N
XLogP3.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-propylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(6-methyl-2-propylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 70774610) is 4-(6-methyl-2-propylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(6-methyl-2-propylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(6-methyl-2-propylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine is CCCc1nc(C)cc(-c2ccnc3[nH]ccc23)n1.
What is the InChIKey of 4-(6-methyl-2-propylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is AMXSVAXCWFDDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-3-4-14-18-10(2)9-13(19-14)11-5-7-16-15-12(11)6-8-17-15/h5-9H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 4-(6-methyl-2-propylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
4-(6-methyl-2-propylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 252.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-propylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 70774610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).