7-(3-chloro-4-fluorophenyl)-5-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-amine

C18H11ClF2N4 — CID 11515962

IUPAC7-(3-chloro-4-fluorophenyl)-5-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc(F)cc1)cn2-c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H11ClF2N4/c19-14-7-12(5-6-15(14)21)25-8-13(10-1-3-11(20)4-2-10)16-17(22)23-9-24-18(16)25/h1-9H,(H2,22,23,24)
InChIKeyYSXZVDIGOGKKDN-UHFFFAOYSA-N
MW356.76 g/mol
LogP4.60
Rot. Bonds2

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

7-(3-chloro-4-fluorophenyl)-5-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 11515962) has the molecular formula C18H11ClF2N4 and a molecular weight of 356.76 g/mol. Its IUPAC name is 7-(3-chloro-4-fluorophenyl)-5-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-4-fluorophenyl)-5-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID11515962
Molecular FormulaC18H11ClF2N4
Molecular Weight356.76 g/mol
Exact Mass356.06
IUPAC Name7-(3-chloro-4-fluorophenyl)-5-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc(F)cc1)cn2-c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H11ClF2N4/c19-14-7-12(5-6-15(14)21)25-8-13(10-1-3-11(20)4-2-10)16-17(22)23-9-24-18(16)25/h1-9H,(H2,22,23,24)
InChIKeyYSXZVDIGOGKKDN-UHFFFAOYSA-N
XLogP4.60
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.76
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-4-fluorophenyl)-5-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-chloro-4-fluorophenyl)-5-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 11515962) is 7-(3-chloro-4-fluorophenyl)-5-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-chloro-4-fluorophenyl)-5-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-chloro-4-fluorophenyl)-5-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1ccc(F)cc1)cn2-c1ccc(F)c(Cl)c1.
What is the InChIKey of 7-(3-chloro-4-fluorophenyl)-5-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is YSXZVDIGOGKKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2N4/c19-14-7-12(5-6-15(14)21)25-8-13(10-1-3-11(20)4-2-10)16-17(22)23-9-24-18(16)25/h1-9H,(H2,22,23,24).
What are the key properties of 7-(3-chloro-4-fluorophenyl)-5-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-(3-chloro-4-fluorophenyl)-5-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 356.76 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-4-fluorophenyl)-5-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11515962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).