pyrimidin-2-amine;1H-pyrrolo[2,3-b]pyridine

C11H11N5 — CID 67326610

IUPACpyrimidin-2-amine;1H-pyrrolo[2,3-b]pyridine
SMILESNc1ncccn1.c1cnc2[nH]ccc2c1
InChIInChI=1S/C7H6N2.C4H5N3/c1-2-6-3-5-9-7(6)8-4-1;5-4-6-2-1-3-7-4/h1-5H,(H,8,9);1-3H,(H2,5,6,7)
InChIKeyLYVATLASMKMHPM-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.62
Rot. Bonds

About pyrimidin-2-amine;1H-pyrrolo[2,3-b]pyridine

pyrimidin-2-amine;1H-pyrrolo[2,3-b]pyridine (PubChem CID 67326610) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is pyrimidin-2-amine;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Namepyrimidin-2-amine;1H-pyrrolo[2,3-b]pyridine
PubChem CID67326610
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Namepyrimidin-2-amine;1H-pyrrolo[2,3-b]pyridine
SMILESNc1ncccn1.c1cnc2[nH]ccc2c1
InChIInChI=1S/C7H6N2.C4H5N3/c1-2-6-3-5-9-7(6)8-4-1;5-4-6-2-1-3-7-4/h1-5H,(H,8,9);1-3H,(H2,5,6,7)
InChIKeyLYVATLASMKMHPM-UHFFFAOYSA-N
XLogP1.62
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-2-amine;1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of pyrimidin-2-amine;1H-pyrrolo[2,3-b]pyridine (CID 67326610) is pyrimidin-2-amine;1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for pyrimidin-2-amine;1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for pyrimidin-2-amine;1H-pyrrolo[2,3-b]pyridine is Nc1ncccn1.c1cnc2[nH]ccc2c1.
What is the InChIKey of pyrimidin-2-amine;1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LYVATLASMKMHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C4H5N3/c1-2-6-3-5-9-7(6)8-4-1;5-4-6-2-1-3-7-4/h1-5H,(H,8,9);1-3H,(H2,5,6,7).
What are the key properties of pyrimidin-2-amine;1H-pyrrolo[2,3-b]pyridine?
pyrimidin-2-amine;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 213.24 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-2-amine;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 67326610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).