5,6-dimethyl-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine

C12H14N6 — CID 79778728

IUPAC5,6-dimethyl-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(-c2ccn(C)n2)c2ncnc(N)c12
InChIInChI=1S/C12H14N6/c1-7-8(2)18(9-4-5-17(3)16-9)12-10(7)11(13)14-6-15-12/h4-6H,1-3H3,(H2,13,14,15)
InChIKeyDAPKJIZHZKQSNC-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.35
Rot. Bonds1

About 5,6-dimethyl-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine

5,6-dimethyl-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 79778728) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 5,6-dimethyl-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID79778728
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name5,6-dimethyl-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(-c2ccn(C)n2)c2ncnc(N)c12
InChIInChI=1S/C12H14N6/c1-7-8(2)18(9-4-5-17(3)16-9)12-10(7)11(13)14-6-15-12/h4-6H,1-3H3,(H2,13,14,15)
InChIKeyDAPKJIZHZKQSNC-UHFFFAOYSA-N
XLogP1.35
TPSA74.55 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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 79778728) is 5,6-dimethyl-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(C)n(-c2ccn(C)n2)c2ncnc(N)c12.
What is the InChIKey of 5,6-dimethyl-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is DAPKJIZHZKQSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-7-8(2)18(9-4-5-17(3)16-9)12-10(7)11(13)14-6-15-12/h4-6H,1-3H3,(H2,13,14,15).
What are the key properties of 5,6-dimethyl-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 242.29 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 79778728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).