7H-pyrrolo[2,3-d]pyrimidin-4-amine

C6H6N4 — CID 5359620

IUPAC7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2[nH]ccc12
InChIInChI=1S/C6H6N4/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H3,7,8,9,10)
InChIKeyPEHVGBZKEYRQSX-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.54
Rot. Bonds

About 7H-pyrrolo[2,3-d]pyrimidin-4-amine

7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 5359620) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID5359620
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2[nH]ccc12
InChIInChI=1S/C6H6N4/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H3,7,8,9,10)
InChIKeyPEHVGBZKEYRQSX-UHFFFAOYSA-N
XLogP0.54
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 5359620) is 7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7H-pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2[nH]ccc12.
What is the InChIKey of 7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is PEHVGBZKEYRQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H3,7,8,9,10).
What are the key properties of 7H-pyrrolo[2,3-d]pyrimidin-4-amine?
7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 134.14 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 5359620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).