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

C10H14FN3O — CID 80861371

IUPAC4-cyclopentyloxy-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(OC2CCCC2)n1
InChIInChI=1S/C10H14FN3O/c1-12-10-13-6-8(11)9(14-10)15-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,12,13,14)
InChIKeyASYYKEXPNZEIDC-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.98
Rot. Bonds3

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

4-cyclopentyloxy-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 80861371) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-cyclopentyloxy-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopentyloxy-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID80861371
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name4-cyclopentyloxy-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(OC2CCCC2)n1
InChIInChI=1S/C10H14FN3O/c1-12-10-13-6-8(11)9(14-10)15-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,12,13,14)
InChIKeyASYYKEXPNZEIDC-UHFFFAOYSA-N
XLogP1.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.98
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-methylpyrimidin-2-amine?
The IUPAC name of 4-cyclopentyloxy-5-fluoro-N-methylpyrimidin-2-amine (CID 80861371) is 4-cyclopentyloxy-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-cyclopentyloxy-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-cyclopentyloxy-5-fluoro-N-methylpyrimidin-2-amine is CNc1ncc(F)c(OC2CCCC2)n1.
What is the InChIKey of 4-cyclopentyloxy-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is ASYYKEXPNZEIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-12-10-13-6-8(11)9(14-10)15-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 4-cyclopentyloxy-5-fluoro-N-methylpyrimidin-2-amine?
4-cyclopentyloxy-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 211.24 g/mol, XLogP of 1.98, 3 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-methylpyrimidin-2-amine is sourced from PubChem (CID 80861371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).