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

C18H20FN5 — CID 86580358

IUPAC4-N-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(NC2CCCCC2)c2c(-c3ccc(F)cc3)c[nH]c2n1
InChIInChI=1S/C18H20FN5/c19-12-8-6-11(7-9-12)14-10-21-16-15(14)17(24-18(20)23-16)22-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H4,20,21,22,23,24)
InChIKeyQQJUCGSYNBAQMI-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.09
Rot. Bonds3

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

4-N-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 86580358) has the molecular formula C18H20FN5 and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-N-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID86580358
Molecular FormulaC18H20FN5
Molecular Weight325.39 g/mol
Exact Mass325.17
IUPAC Name4-N-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(NC2CCCCC2)c2c(-c3ccc(F)cc3)c[nH]c2n1
InChIInChI=1S/C18H20FN5/c19-12-8-6-11(7-9-12)14-10-21-16-15(14)17(24-18(20)23-16)22-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H4,20,21,22,23,24)
InChIKeyQQJUCGSYNBAQMI-UHFFFAOYSA-N
XLogP4.09
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 86580358) is 4-N-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is Nc1nc(NC2CCCCC2)c2c(-c3ccc(F)cc3)c[nH]c2n1.
What is the InChIKey of 4-N-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is QQJUCGSYNBAQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5/c19-12-8-6-11(7-9-12)14-10-21-16-15(14)17(24-18(20)23-16)22-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H4,20,21,22,23,24).
What are the key properties of 4-N-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
4-N-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 325.39 g/mol, XLogP of 4.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 86580358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).