4-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C13H12N4 — CID 155251412

IUPAC4-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1nc(N)nc2[nH]cc(-c3ccccc3)c12
InChIInChI=1S/C13H12N4/c1-8-11-10(9-5-3-2-4-6-9)7-15-12(11)17-13(14)16-8/h2-7H,1H3,(H3,14,15,16,17)
InChIKeyPMBPRMOHEBPBJY-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.52
Rot. Bonds1

About 4-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 155251412) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 4-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID155251412
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name4-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1nc(N)nc2[nH]cc(-c3ccccc3)c12
InChIInChI=1S/C13H12N4/c1-8-11-10(9-5-3-2-4-6-9)7-15-12(11)17-13(14)16-8/h2-7H,1H3,(H3,14,15,16,17)
InChIKeyPMBPRMOHEBPBJY-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 4-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 155251412) is 4-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Cc1nc(N)nc2[nH]cc(-c3ccccc3)c12.
What is the InChIKey of 4-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is PMBPRMOHEBPBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-8-11-10(9-5-3-2-4-6-9)7-15-12(11)17-13(14)16-8/h2-7H,1H3,(H3,14,15,16,17).
What are the key properties of 4-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-methyl-5-phenyl-7H-pyrrolo[2,3-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 4-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 155251412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).