5H-pyrrolo[3,2-d]pyrimidin-4-amine

C6H6N4 — CID 5287565

IUPAC5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2cc[nH]c12
InChIInChI=1S/C6H6N4/c7-6-5-4(1-2-8-5)9-3-10-6/h1-3,8H,(H2,7,9,10)
InChIKeyYRVFQPBPZCRUDX-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.54
Rot. Bonds

About 5H-pyrrolo[3,2-d]pyrimidin-4-amine

5H-pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 5287565) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 5H-pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5H-pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID5287565
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2cc[nH]c12
InChIInChI=1S/C6H6N4/c7-6-5-4(1-2-8-5)9-3-10-6/h1-3,8H,(H2,7,9,10)
InChIKeyYRVFQPBPZCRUDX-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 5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 5H-pyrrolo[3,2-d]pyrimidin-4-amine (CID 5287565) is 5H-pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 5H-pyrrolo[3,2-d]pyrimidin-4-amine is Nc1ncnc2cc[nH]c12.
What is the InChIKey of 5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is YRVFQPBPZCRUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c7-6-5-4(1-2-8-5)9-3-10-6/h1-3,8H,(H2,7,9,10).
What are the key properties of 5H-pyrrolo[3,2-d]pyrimidin-4-amine?
5H-pyrrolo[3,2-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 5H-pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 5287565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).