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

C14H21FN4O — CID 171359498

IUPAC5-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidin-2-amine
SMILESFc1cnc(NC2CCN(C[C@H]3CCOC3)CC2)nc1
InChIInChI=1S/C14H21FN4O/c15-12-7-16-14(17-8-12)18-13-1-4-19(5-2-13)9-11-3-6-20-10-11/h7-8,11,13H,1-6,9-10H2,(H,16,17,18)/t11-/m1/s1
InChIKeyBUKUHADYYZMYQJ-LLVKDONJSA-N
MW280.35 g/mol
LogP1.53
Rot. Bonds4

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

5-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidin-2-amine (PubChem CID 171359498) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is 5-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidin-2-amine
PubChem CID171359498
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name5-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidin-2-amine
SMILESFc1cnc(NC2CCN(C[C@H]3CCOC3)CC2)nc1
InChIInChI=1S/C14H21FN4O/c15-12-7-16-14(17-8-12)18-13-1-4-19(5-2-13)9-11-3-6-20-10-11/h7-8,11,13H,1-6,9-10H2,(H,16,17,18)/t11-/m1/s1
InChIKeyBUKUHADYYZMYQJ-LLVKDONJSA-N
XLogP1.53
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.53
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-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidin-2-amine (CID 171359498) is 5-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidin-2-amine is Fc1cnc(NC2CCN(C[C@H]3CCOC3)CC2)nc1.
What is the InChIKey of 5-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is BUKUHADYYZMYQJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21FN4O/c15-12-7-16-14(17-8-12)18-13-1-4-19(5-2-13)9-11-3-6-20-10-11/h7-8,11,13H,1-6,9-10H2,(H,16,17,18)/t11-/m1/s1.
What are the key properties of 5-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidin-2-amine?
5-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 280.35 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 171359498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).