4-cyclopentyloxy-5-fluoropyrimidin-2-amine

C9H12FN3O — CID 80861467

IUPAC4-cyclopentyloxy-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(OC2CCCC2)n1
InChIInChI=1S/C9H12FN3O/c10-7-5-12-9(11)13-8(7)14-6-3-1-2-4-6/h5-6H,1-4H2,(H2,11,12,13)
InChIKeyCVAHCYGXGRPVNJ-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.52
Rot. Bonds2

About 4-cyclopentyloxy-5-fluoropyrimidin-2-amine

4-cyclopentyloxy-5-fluoropyrimidin-2-amine (PubChem CID 80861467) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 4-cyclopentyloxy-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopentyloxy-5-fluoropyrimidin-2-amine
PubChem CID80861467
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name4-cyclopentyloxy-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(OC2CCCC2)n1
InChIInChI=1S/C9H12FN3O/c10-7-5-12-9(11)13-8(7)14-6-3-1-2-4-6/h5-6H,1-4H2,(H2,11,12,13)
InChIKeyCVAHCYGXGRPVNJ-UHFFFAOYSA-N
XLogP1.52
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-cyclopentyloxy-5-fluoropyrimidin-2-amine (CID 80861467) is 4-cyclopentyloxy-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-cyclopentyloxy-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-cyclopentyloxy-5-fluoropyrimidin-2-amine is Nc1ncc(F)c(OC2CCCC2)n1.
What is the InChIKey of 4-cyclopentyloxy-5-fluoropyrimidin-2-amine?
The InChIKey is CVAHCYGXGRPVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c10-7-5-12-9(11)13-8(7)14-6-3-1-2-4-6/h5-6H,1-4H2,(H2,11,12,13).
What are the key properties of 4-cyclopentyloxy-5-fluoropyrimidin-2-amine?
4-cyclopentyloxy-5-fluoropyrimidin-2-amine has a molecular weight of 197.21 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80861467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).