4-cyclopentyloxy-5-fluoro-N-propylpyrimidin-2-amine

C12H18FN3O — CID 80860885

IUPAC4-cyclopentyloxy-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(OC2CCCC2)n1
InChIInChI=1S/C12H18FN3O/c1-2-7-14-12-15-8-10(13)11(16-12)17-9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H,14,15,16)
InChIKeyPOQKUUOUGHWXOG-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.76
Rot. Bonds5

About 4-cyclopentyloxy-5-fluoro-N-propylpyrimidin-2-amine

4-cyclopentyloxy-5-fluoro-N-propylpyrimidin-2-amine (PubChem CID 80860885) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-cyclopentyloxy-5-fluoro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopentyloxy-5-fluoro-N-propylpyrimidin-2-amine
PubChem CID80860885
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name4-cyclopentyloxy-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(OC2CCCC2)n1
InChIInChI=1S/C12H18FN3O/c1-2-7-14-12-15-8-10(13)11(16-12)17-9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H,14,15,16)
InChIKeyPOQKUUOUGHWXOG-UHFFFAOYSA-N
XLogP2.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-5-fluoro-N-propylpyrimidin-2-amine?
The IUPAC name of 4-cyclopentyloxy-5-fluoro-N-propylpyrimidin-2-amine (CID 80860885) is 4-cyclopentyloxy-5-fluoro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-cyclopentyloxy-5-fluoro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-cyclopentyloxy-5-fluoro-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(OC2CCCC2)n1.
What is the InChIKey of 4-cyclopentyloxy-5-fluoro-N-propylpyrimidin-2-amine?
The InChIKey is POQKUUOUGHWXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-2-7-14-12-15-8-10(13)11(16-12)17-9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 4-cyclopentyloxy-5-fluoro-N-propylpyrimidin-2-amine?
4-cyclopentyloxy-5-fluoro-N-propylpyrimidin-2-amine has a molecular weight of 239.29 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-5-fluoro-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80860885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).