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

C12H14N6 — CID 166627637

IUPAC4-amino-7-methyl-6-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCn1c(N2CCCC2)c(C#N)c2c(N)ncnc21
InChIInChI=1S/C12H14N6/c1-17-11-9(10(14)15-7-16-11)8(6-13)12(17)18-4-2-3-5-18/h7H,2-5H2,1H3,(H2,14,15,16)
InChIKeyJJCQSHICNQSPNC-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.02
Rot. Bonds1

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

4-amino-7-methyl-6-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 166627637) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 4-amino-7-methyl-6-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-7-methyl-6-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID166627637
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name4-amino-7-methyl-6-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCn1c(N2CCCC2)c(C#N)c2c(N)ncnc21
InChIInChI=1S/C12H14N6/c1-17-11-9(10(14)15-7-16-11)8(6-13)12(17)18-4-2-3-5-18/h7H,2-5H2,1H3,(H2,14,15,16)
InChIKeyJJCQSHICNQSPNC-UHFFFAOYSA-N
XLogP1.02
TPSA83.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-methyl-6-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-7-methyl-6-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 166627637) is 4-amino-7-methyl-6-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-7-methyl-6-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-7-methyl-6-pyrrolidin-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-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is JJCQSHICNQSPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-17-11-9(10(14)15-7-16-11)8(6-13)12(17)18-4-2-3-5-18/h7H,2-5H2,1H3,(H2,14,15,16).
What are the key properties of 4-amino-7-methyl-6-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-amino-7-methyl-6-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 242.29 g/mol, XLogP of 1.02, 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-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 166627637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).