N-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine

C15H16FN3O — CID 56553610

IUPACN-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine
SMILESFc1ccc(Oc2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C15H16FN3O/c16-11-5-7-13(8-6-11)20-14-9-10-17-15(19-14)18-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,17,18,19)
InChIKeyYATKKKPHCKBNFE-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.76
Rot. Bonds4

About N-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine

N-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine (PubChem CID 56553610) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine
PubChem CID56553610
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine
SMILESFc1ccc(Oc2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C15H16FN3O/c16-11-5-7-13(8-6-11)20-14-9-10-17-15(19-14)18-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,17,18,19)
InChIKeyYATKKKPHCKBNFE-UHFFFAOYSA-N
XLogP3.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine (CID 56553610) is N-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine is Fc1ccc(Oc2ccnc(NC3CCCC3)n2)cc1.
What is the InChIKey of N-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine?
The InChIKey is YATKKKPHCKBNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c16-11-5-7-13(8-6-11)20-14-9-10-17-15(19-14)18-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,17,18,19).
What are the key properties of N-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine?
N-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine has a molecular weight of 273.31 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine is sourced from PubChem (CID 56553610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).