2,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-6-amine

C18H14N4 — CID 175490539

IUPAC2,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-6-amine
SMILESNc1cc2c(-c3ccccc3)nc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C18H14N4/c19-15-11-14-16(12-7-3-1-4-8-12)21-17(22-18(14)20-15)13-9-5-2-6-10-13/h1-11H,19H2,(H,20,21,22)
InChIKeyCLPOWFUXQKCUTL-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.87
Rot. Bonds2

About 2,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-6-amine

2,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-6-amine (PubChem CID 175490539) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-6-amine.

Molecular Properties

Compound Name2,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-6-amine
PubChem CID175490539
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name2,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-6-amine
SMILESNc1cc2c(-c3ccccc3)nc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C18H14N4/c19-15-11-14-16(12-7-3-1-4-8-12)21-17(22-18(14)20-15)13-9-5-2-6-10-13/h1-11H,19H2,(H,20,21,22)
InChIKeyCLPOWFUXQKCUTL-UHFFFAOYSA-N
XLogP3.87
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-6-amine?
The IUPAC name of 2,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-6-amine (CID 175490539) is 2,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-6-amine.
What is the SMILES notation for 2,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-6-amine?
The canonical SMILES for 2,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-6-amine is Nc1cc2c(-c3ccccc3)nc(-c3ccccc3)nc2[nH]1.
What is the InChIKey of 2,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-6-amine?
The InChIKey is CLPOWFUXQKCUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c19-15-11-14-16(12-7-3-1-4-8-12)21-17(22-18(14)20-15)13-9-5-2-6-10-13/h1-11H,19H2,(H,20,21,22).
What are the key properties of 2,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-6-amine?
2,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-6-amine has a molecular weight of 286.34 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-6-amine is sourced from PubChem (CID 175490539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).