4-cyclopentyloxy-N-ethyl-5-fluoropyrimidin-2-amine

C11H16FN3O — CID 80862029

IUPAC4-cyclopentyloxy-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(OC2CCCC2)n1
InChIInChI=1S/C11H16FN3O/c1-2-13-11-14-7-9(12)10(15-11)16-8-5-3-4-6-8/h7-8H,2-6H2,1H3,(H,13,14,15)
InChIKeyZWNWRFGUFGELCV-UHFFFAOYSA-N
MW225.27 g/mol
LogP2.37
Rot. Bonds4

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

4-cyclopentyloxy-N-ethyl-5-fluoropyrimidin-2-amine (PubChem CID 80862029) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-ethyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopentyloxy-N-ethyl-5-fluoropyrimidin-2-amine
PubChem CID80862029
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name4-cyclopentyloxy-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(OC2CCCC2)n1
InChIInChI=1S/C11H16FN3O/c1-2-13-11-14-7-9(12)10(15-11)16-8-5-3-4-6-8/h7-8H,2-6H2,1H3,(H,13,14,15)
InChIKeyZWNWRFGUFGELCV-UHFFFAOYSA-N
XLogP2.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-ethyl-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-cyclopentyloxy-N-ethyl-5-fluoropyrimidin-2-amine (CID 80862029) is 4-cyclopentyloxy-N-ethyl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-cyclopentyloxy-N-ethyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-cyclopentyloxy-N-ethyl-5-fluoropyrimidin-2-amine is CCNc1ncc(F)c(OC2CCCC2)n1.
What is the InChIKey of 4-cyclopentyloxy-N-ethyl-5-fluoropyrimidin-2-amine?
The InChIKey is ZWNWRFGUFGELCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-2-13-11-14-7-9(12)10(15-11)16-8-5-3-4-6-8/h7-8H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 4-cyclopentyloxy-N-ethyl-5-fluoropyrimidin-2-amine?
4-cyclopentyloxy-N-ethyl-5-fluoropyrimidin-2-amine has a molecular weight of 225.27 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-ethyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80862029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).