4-amino-7-methyl-6-pyrrol-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile

C12H10N6 — CID 166634908

IUPAC4-amino-7-methyl-6-pyrrol-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCn1c(-n2cccc2)c(C#N)c2c(N)ncnc21
InChIInChI=1S/C12H10N6/c1-17-11-9(10(14)15-7-16-11)8(6-13)12(17)18-4-2-3-5-18/h2-5,7H,1H3,(H2,14,15,16)
InChIKeyMAZVUUSCAWFJTP-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.21
Rot. Bonds1

About 4-amino-7-methyl-6-pyrrol-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-amino-7-methyl-6-pyrrol-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 166634908) has the molecular formula C12H10N6 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-amino-7-methyl-6-pyrrol-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-7-methyl-6-pyrrol-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID166634908
Molecular FormulaC12H10N6
Molecular Weight238.25 g/mol
Exact Mass238.10
IUPAC Name4-amino-7-methyl-6-pyrrol-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCn1c(-n2cccc2)c(C#N)c2c(N)ncnc21
InChIInChI=1S/C12H10N6/c1-17-11-9(10(14)15-7-16-11)8(6-13)12(17)18-4-2-3-5-18/h2-5,7H,1H3,(H2,14,15,16)
InChIKeyMAZVUUSCAWFJTP-UHFFFAOYSA-N
XLogP1.21
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_F(5)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-methyl-6-pyrrol-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-7-methyl-6-pyrrol-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 166634908) is 4-amino-7-methyl-6-pyrrol-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-7-methyl-6-pyrrol-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-7-methyl-6-pyrrol-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile is Cn1c(-n2cccc2)c(C#N)c2c(N)ncnc21.
What is the InChIKey of 4-amino-7-methyl-6-pyrrol-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is MAZVUUSCAWFJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6/c1-17-11-9(10(14)15-7-16-11)8(6-13)12(17)18-4-2-3-5-18/h2-5,7H,1H3,(H2,14,15,16).
What are the key properties of 4-amino-7-methyl-6-pyrrol-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-amino-7-methyl-6-pyrrol-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 238.25 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-methyl-6-pyrrol-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 166634908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).