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

C6H6N4 — CID 21135538

IUPAC7H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2c1N=CC2
InChIInChI=1S/C6H6N4/c7-6-5-4(1-2-8-5)9-3-10-6/h2-3H,1H2,(H2,7,9,10)
InChIKeyKDLBPMLXOZTGDT-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.32
Rot. Bonds

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

7H-pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 21135538) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 7H-pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7H-pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID21135538
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name7H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2c1N=CC2
InChIInChI=1S/C6H6N4/c7-6-5-4(1-2-8-5)9-3-10-6/h2-3H,1H2,(H2,7,9,10)
InChIKeyKDLBPMLXOZTGDT-UHFFFAOYSA-N
XLogP0.32
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7H-pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7H-pyrrolo[3,2-d]pyrimidin-4-amine (CID 21135538) is 7H-pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7H-pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7H-pyrrolo[3,2-d]pyrimidin-4-amine is Nc1ncnc2c1N=CC2.
What is the InChIKey of 7H-pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is KDLBPMLXOZTGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c7-6-5-4(1-2-8-5)9-3-10-6/h2-3H,1H2,(H2,7,9,10).
What are the key properties of 7H-pyrrolo[3,2-d]pyrimidin-4-amine?
7H-pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 134.14 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 21135538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).