N-(2-cyclopentyloxy-4-fluorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine

C18H19FN4O — CID 137351394

IUPACN-(2-cyclopentyloxy-4-fluorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESCn1ccc2ncnc(Nc3ccc(F)cc3OC3CCCC3)c21
InChIInChI=1S/C18H19FN4O/c1-23-9-8-15-17(23)18(21-11-20-15)22-14-7-6-12(19)10-16(14)24-13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,20,21,22)
InChIKeyGQPLXSNGJYAHSH-UHFFFAOYSA-N
MW326.38 g/mol
LogP4.17
Rot. Bonds4

About N-(2-cyclopentyloxy-4-fluorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine

N-(2-cyclopentyloxy-4-fluorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 137351394) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(2-cyclopentyloxy-4-fluorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxy-4-fluorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID137351394
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC NameN-(2-cyclopentyloxy-4-fluorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESCn1ccc2ncnc(Nc3ccc(F)cc3OC3CCCC3)c21
InChIInChI=1S/C18H19FN4O/c1-23-9-8-15-17(23)18(21-11-20-15)22-14-7-6-12(19)10-16(14)24-13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,20,21,22)
InChIKeyGQPLXSNGJYAHSH-UHFFFAOYSA-N
XLogP4.17
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxy-4-fluorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(2-cyclopentyloxy-4-fluorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine (CID 137351394) is N-(2-cyclopentyloxy-4-fluorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-cyclopentyloxy-4-fluorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-cyclopentyloxy-4-fluorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine is Cn1ccc2ncnc(Nc3ccc(F)cc3OC3CCCC3)c21.
What is the InChIKey of N-(2-cyclopentyloxy-4-fluorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is GQPLXSNGJYAHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-23-9-8-15-17(23)18(21-11-20-15)22-14-7-6-12(19)10-16(14)24-13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,20,21,22).
What are the key properties of N-(2-cyclopentyloxy-4-fluorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
N-(2-cyclopentyloxy-4-fluorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 326.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxy-4-fluorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 137351394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).