5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C12H10FN5 — CID 86580352

IUPAC5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2c(-c3ccc(F)cc3)c[nH]c2n1
InChIInChI=1S/C12H10FN5/c13-7-3-1-6(2-4-7)8-5-16-11-9(8)10(14)17-12(15)18-11/h1-5H,(H5,14,15,16,17,18)
InChIKeySVEXZYXFUHRTHZ-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.93
Rot. Bonds1

About 5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 86580352) has the molecular formula C12H10FN5 and a molecular weight of 243.25 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID86580352
Molecular FormulaC12H10FN5
Molecular Weight243.25 g/mol
Exact Mass243.09
IUPAC Name5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2c(-c3ccc(F)cc3)c[nH]c2n1
InChIInChI=1S/C12H10FN5/c13-7-3-1-6(2-4-7)8-5-16-11-9(8)10(14)17-12(15)18-11/h1-5H,(H5,14,15,16,17,18)
InChIKeySVEXZYXFUHRTHZ-UHFFFAOYSA-N
XLogP1.93
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 86580352) is 5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is Nc1nc(N)c2c(-c3ccc(F)cc3)c[nH]c2n1.
What is the InChIKey of 5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is SVEXZYXFUHRTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5/c13-7-3-1-6(2-4-7)8-5-16-11-9(8)10(14)17-12(15)18-11/h1-5H,(H5,14,15,16,17,18).
What are the key properties of 5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 243.25 g/mol, XLogP of 1.93, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 86580352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).