1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]piperidin-4-amine

C13H20FN5 — CID 104606397

IUPAC1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(c3ncc(F)cn3)C2)CC1
InChIInChI=1S/C13H20FN5/c14-10-7-16-13(17-8-10)19-6-3-12(9-19)18-4-1-11(15)2-5-18/h7-8,11-12H,1-6,9,15H2
InChIKeyYWXXTYCTCYTFGK-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.62
Rot. Bonds2

About 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]piperidin-4-amine

1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 104606397) has the molecular formula C13H20FN5 and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]piperidin-4-amine
PubChem CID104606397
Molecular FormulaC13H20FN5
Molecular Weight265.34 g/mol
Exact Mass265.17
IUPAC Name1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(c3ncc(F)cn3)C2)CC1
InChIInChI=1S/C13H20FN5/c14-10-7-16-13(17-8-10)19-6-3-12(9-19)18-4-1-11(15)2-5-18/h7-8,11-12H,1-6,9,15H2
InChIKeyYWXXTYCTCYTFGK-UHFFFAOYSA-N
XLogP0.62
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-pyrimidin-2-ylpyrrolidin-3-yl)piperidin-4-amine
CID 80553075
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802329
2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine
CID 104606673
1-[1-(5-iodopyrimidin-4-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553204
1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 83109808
1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 104606421
(7R)-7-[(4-fluorophenoxy)methyl]-2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 58863400
(7S,9aS)-7-[(3,5-difluorophenoxy)methyl]-2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 10156496
1-[1-(3-bromo-4-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine
CID 104777592
1-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
CID 117224100
(7R,9aS)-2-(5-fluoropyrimidin-2-yl)-7-(2-phenylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 22940603
1-[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553412

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]piperidin-4-amine (CID 104606397) is 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]piperidin-4-amine is NC1CCN(C2CCN(c3ncc(F)cn3)C2)CC1.
What is the InChIKey of 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is YWXXTYCTCYTFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN5/c14-10-7-16-13(17-8-10)19-6-3-12(9-19)18-4-1-11(15)2-5-18/h7-8,11-12H,1-6,9,15H2.
What are the key properties of 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]piperidin-4-amine?
1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 265.34 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 104606397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).