5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C18H15N5 — CID 15761739

IUPAC5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2c(-c3ccccc3)c(-c3ccccc3)[nH]c2n1
InChIInChI=1S/C18H15N5/c19-16-14-13(11-7-3-1-4-8-11)15(12-9-5-2-6-10-12)21-17(14)23-18(20)22-16/h1-10H,(H5,19,20,21,22,23)
InChIKeyALHDUYCWXQUVGC-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.46
Rot. Bonds2

About 5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 15761739) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID15761739
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2c(-c3ccccc3)c(-c3ccccc3)[nH]c2n1
InChIInChI=1S/C18H15N5/c19-16-14-13(11-7-3-1-4-8-11)15(12-9-5-2-6-10-12)21-17(14)23-18(20)22-16/h1-10H,(H5,19,20,21,22,23)
InChIKeyALHDUYCWXQUVGC-UHFFFAOYSA-N
XLogP3.46
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 15761739) is 5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is Nc1nc(N)c2c(-c3ccccc3)c(-c3ccccc3)[nH]c2n1.
What is the InChIKey of 5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is ALHDUYCWXQUVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c19-16-14-13(11-7-3-1-4-8-11)15(12-9-5-2-6-10-12)21-17(14)23-18(20)22-16/h1-10H,(H5,19,20,21,22,23).
What are the key properties of 5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 301.35 g/mol, XLogP of 3.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 15761739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).