5-(4-amino-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

C14H15N5 — CID 135198115

IUPAC5-(4-amino-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc(-c2cn(C)c3ncnc(N)c23)ccc1N
InChIInChI=1S/C14H15N5/c1-8-5-9(3-4-11(8)15)10-6-19(2)14-12(10)13(16)17-7-18-14/h3-7H,15H2,1-2H3,(H2,16,17,18)
InChIKeyHLHLIGXCLJTJMB-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.11
Rot. Bonds1

About 5-(4-amino-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

5-(4-amino-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 135198115) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-(4-amino-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-amino-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID135198115
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name5-(4-amino-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc(-c2cn(C)c3ncnc(N)c23)ccc1N
InChIInChI=1S/C14H15N5/c1-8-5-9(3-4-11(8)15)10-6-19(2)14-12(10)13(16)17-7-18-14/h3-7H,15H2,1-2H3,(H2,16,17,18)
InChIKeyHLHLIGXCLJTJMB-UHFFFAOYSA-N
XLogP2.11
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-amino-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (CID 135198115) is 5-(4-amino-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-amino-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-amino-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc(-c2cn(C)c3ncnc(N)c23)ccc1N.
What is the InChIKey of 5-(4-amino-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HLHLIGXCLJTJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-8-5-9(3-4-11(8)15)10-6-19(2)14-12(10)13(16)17-7-18-14/h3-7H,15H2,1-2H3,(H2,16,17,18).
What are the key properties of 5-(4-amino-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
5-(4-amino-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 253.31 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 135198115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).