4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine

C14H21FN4 — CID 80819478

IUPAC4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C14H21FN4/c1-16-14-17-9-11(15)13(18-14)19-8-4-7-12(19)10-5-2-3-6-10/h9-10,12H,2-8H2,1H3,(H,16,17,18)
InChIKeyDKBBCWQBLBATEB-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.82
Rot. Bonds3

About 4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine

4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 80819478) has the molecular formula C14H21FN4 and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID80819478
Molecular FormulaC14H21FN4
Molecular Weight264.35 g/mol
Exact Mass264.18
IUPAC Name4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C14H21FN4/c1-16-14-17-9-11(15)13(18-14)19-8-4-7-12(19)10-5-2-3-6-10/h9-10,12H,2-8H2,1H3,(H,16,17,18)
InChIKeyDKBBCWQBLBATEB-UHFFFAOYSA-N
XLogP2.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine (CID 80819478) is 4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine is CNc1ncc(F)c(N2CCCC2C2CCCC2)n1.
What is the InChIKey of 4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is DKBBCWQBLBATEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4/c1-16-14-17-9-11(15)13(18-14)19-8-4-7-12(19)10-5-2-3-6-10/h9-10,12H,2-8H2,1H3,(H,16,17,18).
What are the key properties of 4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 264.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80819478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).