5-fluoro-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine

C13H19FN4O — CID 97069458

IUPAC5-fluoro-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine
SMILESFc1cnc(NC2CCN([C@H]3CCOC3)CC2)nc1
InChIInChI=1S/C13H19FN4O/c14-10-7-15-13(16-8-10)17-11-1-4-18(5-2-11)12-3-6-19-9-12/h7-8,11-12H,1-6,9H2,(H,15,16,17)/t12-/m0/s1
InChIKeyWPDCIIHHTGWIBO-LBPRGKRZSA-N
MW266.32 g/mol
LogP1.28
Rot. Bonds3

About 5-fluoro-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine

5-fluoro-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine (PubChem CID 97069458) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-fluoro-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine
PubChem CID97069458
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name5-fluoro-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine
SMILESFc1cnc(NC2CCN([C@H]3CCOC3)CC2)nc1
InChIInChI=1S/C13H19FN4O/c14-10-7-15-13(16-8-10)17-11-1-4-18(5-2-11)12-3-6-19-9-12/h7-8,11-12H,1-6,9H2,(H,15,16,17)/t12-/m0/s1
InChIKeyWPDCIIHHTGWIBO-LBPRGKRZSA-N
XLogP1.28
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine (CID 97069458) is 5-fluoro-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine is Fc1cnc(NC2CCN([C@H]3CCOC3)CC2)nc1.
What is the InChIKey of 5-fluoro-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is WPDCIIHHTGWIBO-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19FN4O/c14-10-7-15-13(16-8-10)17-11-1-4-18(5-2-11)12-3-6-19-9-12/h7-8,11-12H,1-6,9H2,(H,15,16,17)/t12-/m0/s1.
What are the key properties of 5-fluoro-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine?
5-fluoro-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 266.32 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 97069458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).