5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C12H9ClN4 — CID 18792935

IUPAC5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
InChIInChI=1S/C12H9ClN4/c13-8-3-1-2-7(4-8)9-5-15-12-10(9)11(14)16-6-17-12/h1-6H,(H3,14,15,16,17)
InChIKeyYPDHYMJXGUTRCG-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.86
Rot. Bonds1

About 5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 18792935) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID18792935
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
InChIInChI=1S/C12H9ClN4/c13-8-3-1-2-7(4-8)9-5-15-12-10(9)11(14)16-6-17-12/h1-6H,(H3,14,15,16,17)
InChIKeyYPDHYMJXGUTRCG-UHFFFAOYSA-N
XLogP2.86
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 18792935) is 5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2[nH]cc(-c3cccc(Cl)c3)c12.
What is the InChIKey of 5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is YPDHYMJXGUTRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c13-8-3-1-2-7(4-8)9-5-15-12-10(9)11(14)16-6-17-12/h1-6H,(H3,14,15,16,17).
What are the key properties of 5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 244.69 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18792935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).