7-amino-2,3-dimethyl-5-(methylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

C10H12N6 — CID 167162961

IUPAC7-amino-2,3-dimethyl-5-(methylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCNc1nc2c(C)c(C)nn2c(N)c1C#N
InChIInChI=1S/C10H12N6/c1-5-6(2)15-16-8(12)7(4-11)9(13-3)14-10(5)16/h12H2,1-3H3,(H,13,14)
InChIKeyIYTACDSIBHCCDL-UHFFFAOYSA-N
MW216.25 g/mol
LogP0.84
Rot. Bonds1

About 7-amino-2,3-dimethyl-5-(methylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-2,3-dimethyl-5-(methylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 167162961) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is 7-amino-2,3-dimethyl-5-(methylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-2,3-dimethyl-5-(methylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID167162961
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name7-amino-2,3-dimethyl-5-(methylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCNc1nc2c(C)c(C)nn2c(N)c1C#N
InChIInChI=1S/C10H12N6/c1-5-6(2)15-16-8(12)7(4-11)9(13-3)14-10(5)16/h12H2,1-3H3,(H,13,14)
InChIKeyIYTACDSIBHCCDL-UHFFFAOYSA-N
XLogP0.84
TPSA92.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2,3-dimethyl-5-(methylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-2,3-dimethyl-5-(methylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 167162961) is 7-amino-2,3-dimethyl-5-(methylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-2,3-dimethyl-5-(methylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-2,3-dimethyl-5-(methylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile is CNc1nc2c(C)c(C)nn2c(N)c1C#N.
What is the InChIKey of 7-amino-2,3-dimethyl-5-(methylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is IYTACDSIBHCCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c1-5-6(2)15-16-8(12)7(4-11)9(13-3)14-10(5)16/h12H2,1-3H3,(H,13,14).
What are the key properties of 7-amino-2,3-dimethyl-5-(methylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-2,3-dimethyl-5-(methylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 216.25 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2,3-dimethyl-5-(methylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 167162961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).