N-(2-chloro-4-fluorophenyl)-7-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

C20H15ClF2N4 — CID 50765472

IUPACN-(2-chloro-4-fluorophenyl)-7-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(-c2ccc(F)cc2)c2ncnc(Nc3ccc(F)cc3Cl)c12
InChIInChI=1S/C20H15ClF2N4/c1-11-12(2)27(15-6-3-13(22)4-7-15)20-18(11)19(24-10-25-20)26-17-8-5-14(23)9-16(17)21/h3-10H,1-2H3,(H,24,25,26)
InChIKeyWQPYFYFMIASTLD-UHFFFAOYSA-N
MW384.82 g/mol
LogP5.71
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-7-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

N-(2-chloro-4-fluorophenyl)-7-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 50765472) has the molecular formula C20H15ClF2N4 and a molecular weight of 384.82 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-7-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-7-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID50765472
Molecular FormulaC20H15ClF2N4
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC NameN-(2-chloro-4-fluorophenyl)-7-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(-c2ccc(F)cc2)c2ncnc(Nc3ccc(F)cc3Cl)c12
InChIInChI=1S/C20H15ClF2N4/c1-11-12(2)27(15-6-3-13(22)4-7-15)20-18(11)19(24-10-25-20)26-17-8-5-14(23)9-16(17)21/h3-10H,1-2H3,(H,24,25,26)
InChIKeyWQPYFYFMIASTLD-UHFFFAOYSA-N
XLogP5.71
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.82
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-7-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-7-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 50765472) is N-(2-chloro-4-fluorophenyl)-7-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-7-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-7-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(C)n(-c2ccc(F)cc2)c2ncnc(Nc3ccc(F)cc3Cl)c12.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-7-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is WQPYFYFMIASTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N4/c1-11-12(2)27(15-6-3-13(22)4-7-15)20-18(11)19(24-10-25-20)26-17-8-5-14(23)9-16(17)21/h3-10H,1-2H3,(H,24,25,26).
What are the key properties of N-(2-chloro-4-fluorophenyl)-7-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
N-(2-chloro-4-fluorophenyl)-7-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 384.82 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-7-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 50765472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).