6-(2-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine

C13H12N4 — CID 140917315

IUPAC6-(2-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCc1ccccc1-c1cc2nc(N)ncc2[nH]1
InChIInChI=1S/C13H12N4/c1-8-4-2-3-5-9(8)10-6-11-12(16-10)7-15-13(14)17-11/h2-7,16H,1H3,(H2,14,15,17)
InChIKeyKLRXLPMVOACQJQ-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.52
Rot. Bonds1

About 6-(2-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine

6-(2-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 140917315) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 6-(2-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(2-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
PubChem CID140917315
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name6-(2-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCc1ccccc1-c1cc2nc(N)ncc2[nH]1
InChIInChI=1S/C13H12N4/c1-8-4-2-3-5-9(8)10-6-11-12(16-10)7-15-13(14)17-11/h2-7,16H,1H3,(H2,14,15,17)
InChIKeyKLRXLPMVOACQJQ-UHFFFAOYSA-N
XLogP2.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-(2-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine (CID 140917315) is 6-(2-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(2-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-(2-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine is Cc1ccccc1-c1cc2nc(N)ncc2[nH]1.
What is the InChIKey of 6-(2-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
The InChIKey is KLRXLPMVOACQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-8-4-2-3-5-9(8)10-6-11-12(16-10)7-15-13(14)17-11/h2-7,16H,1H3,(H2,14,15,17).
What are the key properties of 6-(2-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
6-(2-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 224.27 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 140917315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).