N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

C14H14N4 — CID 175930259

IUPACN-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCNc1ncc2ccn(-c3ccccc3C)c2n1
InChIInChI=1S/C14H14N4/c1-10-5-3-4-6-12(10)18-8-7-11-9-16-14(15-2)17-13(11)18/h3-9H,1-2H3,(H,15,16,17)
InChIKeyVQRSRKHLJRVGBR-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.77
Rot. Bonds2

About N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 175930259) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID175930259
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC NameN-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCNc1ncc2ccn(-c3ccccc3C)c2n1
InChIInChI=1S/C14H14N4/c1-10-5-3-4-6-12(10)18-8-7-11-9-16-14(15-2)17-13(11)18/h3-9H,1-2H3,(H,15,16,17)
InChIKeyVQRSRKHLJRVGBR-UHFFFAOYSA-N
XLogP2.77
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-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 N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (CID 175930259) is N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is CNc1ncc2ccn(-c3ccccc3C)c2n1.
What is the InChIKey of N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is VQRSRKHLJRVGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10-5-3-4-6-12(10)18-8-7-11-9-16-14(15-2)17-13(11)18/h3-9H,1-2H3,(H,15,16,17).
What are the key properties of N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 238.29 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 175930259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).