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

C15H14N6 — CID 166633155

IUPAC4-amino-7-ethyl-2-methyl-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCCn1c(-c2cccnc2)c(C#N)c2c(N)nc(C)nc21
InChIInChI=1S/C15H14N6/c1-3-21-13(10-5-4-6-18-8-10)11(7-16)12-14(17)19-9(2)20-15(12)21/h4-6,8H,3H2,1-2H3,(H2,17,19,20)
InChIKeyGLOGAYWXLQMVAY-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.28
Rot. Bonds2

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

4-amino-7-ethyl-2-methyl-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 166633155) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is 4-amino-7-ethyl-2-methyl-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-7-ethyl-2-methyl-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID166633155
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name4-amino-7-ethyl-2-methyl-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCCn1c(-c2cccnc2)c(C#N)c2c(N)nc(C)nc21
InChIInChI=1S/C15H14N6/c1-3-21-13(10-5-4-6-18-8-10)11(7-16)12-14(17)19-9(2)20-15(12)21/h4-6,8H,3H2,1-2H3,(H2,17,19,20)
InChIKeyGLOGAYWXLQMVAY-UHFFFAOYSA-N
XLogP2.28
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-ethyl-2-methyl-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-7-ethyl-2-methyl-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 166633155) is 4-amino-7-ethyl-2-methyl-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-7-ethyl-2-methyl-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-7-ethyl-2-methyl-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile is CCn1c(-c2cccnc2)c(C#N)c2c(N)nc(C)nc21.
What is the InChIKey of 4-amino-7-ethyl-2-methyl-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is GLOGAYWXLQMVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6/c1-3-21-13(10-5-4-6-18-8-10)11(7-16)12-14(17)19-9(2)20-15(12)21/h4-6,8H,3H2,1-2H3,(H2,17,19,20).
What are the key properties of 4-amino-7-ethyl-2-methyl-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-amino-7-ethyl-2-methyl-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 278.32 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-ethyl-2-methyl-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 166633155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).