4-amino-6-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile

C10H12N6 — CID 166632422

IUPAC4-amino-6-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCN(C)c1c(C#N)c2c(N)ncnc2n1C
InChIInChI=1S/C10H12N6/c1-15(2)10-6(4-11)7-8(12)13-5-14-9(7)16(10)3/h5H,1-3H3,(H2,12,13,14)
InChIKeyAVCXKTAKKJOBFG-UHFFFAOYSA-N
MW216.25 g/mol
LogP0.49
Rot. Bonds1

About 4-amino-6-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-amino-6-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 166632422) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is 4-amino-6-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID166632422
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name4-amino-6-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCN(C)c1c(C#N)c2c(N)ncnc2n1C
InChIInChI=1S/C10H12N6/c1-15(2)10-6(4-11)7-8(12)13-5-14-9(7)16(10)3/h5H,1-3H3,(H2,12,13,14)
InChIKeyAVCXKTAKKJOBFG-UHFFFAOYSA-N
XLogP0.49
TPSA83.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 166632422) is 4-amino-6-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile is CN(C)c1c(C#N)c2c(N)ncnc2n1C.
What is the InChIKey of 4-amino-6-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is AVCXKTAKKJOBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c1-15(2)10-6(4-11)7-8(12)13-5-14-9(7)16(10)3/h5H,1-3H3,(H2,12,13,14).
What are the key properties of 4-amino-6-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-amino-6-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 216.25 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 166632422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).