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

C18H13FN4 — CID 10614457

IUPACN-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(Nc2ncnc3[nH]cc(-c4ccccc4)c23)cc1
InChIInChI=1S/C18H13FN4/c19-13-6-8-14(9-7-13)23-18-16-15(12-4-2-1-3-5-12)10-20-17(16)21-11-22-18/h1-11H,(H2,20,21,22,23)
InChIKeyPARBAJYAFDEHHY-UHFFFAOYSA-N
MW304.33 g/mol
LogP4.51
Rot. Bonds3

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

N-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 10614457) has the molecular formula C18H13FN4 and a molecular weight of 304.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID10614457
Molecular FormulaC18H13FN4
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC NameN-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(Nc2ncnc3[nH]cc(-c4ccccc4)c23)cc1
InChIInChI=1S/C18H13FN4/c19-13-6-8-14(9-7-13)23-18-16-15(12-4-2-1-3-5-12)10-20-17(16)21-11-22-18/h1-11H,(H2,20,21,22,23)
InChIKeyPARBAJYAFDEHHY-UHFFFAOYSA-N
XLogP4.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 11499595
7-(4-fluorophenyl)-N,5-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 3391969
4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148988
N-[4-[[5-[3-(aminomethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 170950568
5-(4-chlorophenyl)-N-(3-ethynylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 18473286
N-[4-(4-fluorophenoxy)phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 163322930
2-[4-(4-fluoroanilino)-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl]-5-methyloxolane-3,4-diol
CID 54091951
N-(4-fluorophenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635739
N-[4-[4-[3-(methylsulfamoyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]acetamide
CID 67996775
4-[4-(phenylcarbamoyl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
CID 177257040
4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148779
4-N-(2-chlorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19147903

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 10614457) is N-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Fc1ccc(Nc2ncnc3[nH]cc(-c4ccccc4)c23)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is PARBAJYAFDEHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4/c19-13-6-8-14(9-7-13)23-18-16-15(12-4-2-1-3-5-12)10-20-17(16)21-11-22-18/h1-11H,(H2,20,21,22,23).
What are the key properties of N-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 304.33 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10614457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).