4,6-diamino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile

C8H8N6 — CID 166631735

IUPAC4,6-diamino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCn1c(N)c(C#N)c2c(N)ncnc21
InChIInChI=1S/C8H8N6/c1-14-7(11)4(2-9)5-6(10)12-3-13-8(5)14/h3H,11H2,1H3,(H2,10,12,13)
InChIKeyDRJKXSXZFHGLMP-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.00
Rot. Bonds

About 4,6-diamino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile

4,6-diamino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 166631735) has the molecular formula C8H8N6 and a molecular weight of 188.19 g/mol. Its IUPAC name is 4,6-diamino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4,6-diamino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID166631735
Molecular FormulaC8H8N6
Molecular Weight188.19 g/mol
Exact Mass188.08
IUPAC Name4,6-diamino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCn1c(N)c(C#N)c2c(N)ncnc21
InChIInChI=1S/C8H8N6/c1-14-7(11)4(2-9)5-6(10)12-3-13-8(5)14/h3H,11H2,1H3,(H2,10,12,13)
InChIKeyDRJKXSXZFHGLMP-UHFFFAOYSA-N
XLogP0.00
TPSA106.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4,6-diamino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 166631735) is 4,6-diamino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4,6-diamino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4,6-diamino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile is Cn1c(N)c(C#N)c2c(N)ncnc21.
What is the InChIKey of 4,6-diamino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is DRJKXSXZFHGLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6/c1-14-7(11)4(2-9)5-6(10)12-3-13-8(5)14/h3H,11H2,1H3,(H2,10,12,13).
What are the key properties of 4,6-diamino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4,6-diamino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 188.19 g/mol, XLogP of 0.00, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 166631735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).