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

C13H19FN4O — CID 97069457

IUPAC5-fluoro-N-[1-[(3R)-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-/m1/s1
InChIKeyWPDCIIHHTGWIBO-GFCCVEGCSA-N
MW266.32 g/mol
LogP1.28
Rot. Bonds3

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

5-fluoro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine (PubChem CID 97069457) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-fluoro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine
PubChem CID97069457
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name5-fluoro-N-[1-[(3R)-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-/m1/s1
InChIKeyWPDCIIHHTGWIBO-GFCCVEGCSA-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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Related Compounds

5-fluoro-N-(oxan-4-yl)pyrimidin-2-amine
CID 115749966
5-Fluoro-2-(morpholin-4-yl)pyrimidin-4-amine
CID 756382
5-fluoro-N-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 3121396
2-{[5-Fluoro-2-(4-morpholinyl)-4-pyrimidinyl]amino}ethanol
CID 1945080
N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
CID 71981393
5-bromo-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
CID 71981394
11-(5-Fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118739183
8-ethyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118739784
5-Fluoro-2-(piperidin-4-yloxy)pyrimidin-4-amine
CID 44542266
1-(4-((5-Fluoro-4-morpholinopyrimidin-2-yl)amino)piperidin-1-yl)ethan-1-one
CID 172591486
N-[(3-ethyl-4,5-dihydroisoxazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 50949745
N-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]morpholine-4-carboxamide
CID 91626436

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine (CID 97069457) is 5-fluoro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[1-[(3R)-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-[(3R)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is WPDCIIHHTGWIBO-GFCCVEGCSA-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-/m1/s1.
What are the key properties of 5-fluoro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine?
5-fluoro-N-[1-[(3R)-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-[(3R)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 97069457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).