5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C13H13N5 — CID 86580351

IUPAC5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCc1ccc(-c2c[nH]c3nc(N)nc(N)c23)cc1
InChIInChI=1S/C13H13N5/c1-7-2-4-8(5-3-7)9-6-16-12-10(9)11(14)17-13(15)18-12/h2-6H,1H3,(H5,14,15,16,17,18)
InChIKeyOKAZKDKAGZDUKA-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.10
Rot. Bonds1

About 5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 86580351) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID86580351
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCc1ccc(-c2c[nH]c3nc(N)nc(N)c23)cc1
InChIInChI=1S/C13H13N5/c1-7-2-4-8(5-3-7)9-6-16-12-10(9)11(14)17-13(15)18-12/h2-6H,1H3,(H5,14,15,16,17,18)
InChIKeyOKAZKDKAGZDUKA-UHFFFAOYSA-N
XLogP2.10
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 86580351) is 5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is Cc1ccc(-c2c[nH]c3nc(N)nc(N)c23)cc1.
What is the InChIKey of 5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is OKAZKDKAGZDUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-7-2-4-8(5-3-7)9-6-16-12-10(9)11(14)17-13(15)18-12/h2-6H,1H3,(H5,14,15,16,17,18).
What are the key properties of 5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 239.28 g/mol, XLogP of 2.10, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 86580351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).