4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C7H5N5 — CID 5496048

IUPAC4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1c[nH]c2ncnc(N)c12
InChIInChI=1S/C7H5N5/c8-1-4-2-10-7-5(4)6(9)11-3-12-7/h2-3H,(H3,9,10,11,12)
InChIKeyGFIPINBJCGELKW-UHFFFAOYSA-N
MW159.15 g/mol
LogP0.41
Rot. Bonds

About 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 5496048) has the molecular formula C7H5N5 and a molecular weight of 159.15 g/mol. Its IUPAC name is 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID5496048
Molecular FormulaC7H5N5
Molecular Weight159.15 g/mol
Exact Mass159.05
IUPAC Name4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1c[nH]c2ncnc(N)c12
InChIInChI=1S/C7H5N5/c8-1-4-2-10-7-5(4)6(9)11-3-12-7/h2-3H,(H3,9,10,11,12)
InChIKeyGFIPINBJCGELKW-UHFFFAOYSA-N
XLogP0.41
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 5496048) is 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is N#Cc1c[nH]c2ncnc(N)c12.
What is the InChIKey of 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is GFIPINBJCGELKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5/c8-1-4-2-10-7-5(4)6(9)11-3-12-7/h2-3H,(H3,9,10,11,12).
What are the key properties of 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 159.15 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 5496048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).