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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Related Compounds

4-amino-6-methyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 22943282
4-amino-7-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(furan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 54764933
1-[3-(6-aminopurin-9-yl)propyl]pyrrole-2-carbonitrile
CID 114650911
1-methyl-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
CID 131107177
5-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 140546052
4-amino-8-phenylpyrido[2,3-d]pyrimidin-5-one
CID 68561547
3-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57350721
3-pyrrol-1-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 141186669
4-amino-6-methylsulfanylpyrimidine-5-carbonitrile
CID 83815913
3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol
CID 58269140
4-amino-6-bromo-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 169213123
4-amino-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 15331766

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).