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

C16H25FN4 — CID 80793474

IUPAC4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C16H25FN4/c1-2-9-18-16-19-11-13(17)15(20-16)21-10-5-8-14(21)12-6-3-4-7-12/h11-12,14H,2-10H2,1H3,(H,18,19,20)
InChIKeyWPYNQYCVCRXEEC-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.60
Rot. Bonds5

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

4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-propylpyrimidin-2-amine (PubChem CID 80793474) has the molecular formula C16H25FN4 and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
PubChem CID80793474
Molecular FormulaC16H25FN4
Molecular Weight292.40 g/mol
Exact Mass292.21
IUPAC Name4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C16H25FN4/c1-2-9-18-16-19-11-13(17)15(20-16)21-10-5-8-14(21)12-6-3-4-7-12/h11-12,14H,2-10H2,1H3,(H,18,19,20)
InChIKeyWPYNQYCVCRXEEC-UHFFFAOYSA-N
XLogP3.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.60
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-propylpyrimidin-2-amine?
The IUPAC name of 4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-propylpyrimidin-2-amine (CID 80793474) is 4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(N2CCCC2C2CCCC2)n1.
What is the InChIKey of 4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-propylpyrimidin-2-amine?
The InChIKey is WPYNQYCVCRXEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4/c1-2-9-18-16-19-11-13(17)15(20-16)21-10-5-8-14(21)12-6-3-4-7-12/h11-12,14H,2-10H2,1H3,(H,18,19,20).
What are the key properties of 4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-propylpyrimidin-2-amine?
4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoro-N-propylpyrimidin-2-amine has a molecular weight of 292.40 g/mol, XLogP of 3.60, 5 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-propylpyrimidin-2-amine is sourced from PubChem (CID 80793474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).