(3S,4S)-4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]piperidin-3-ol

C11H17FN4O2 — CID 122563009

IUPAC(3S,4S)-4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]piperidin-3-ol
SMILESCOc1nc(NC[C@@H]2CCNC[C@H]2O)ncc1F
InChIInChI=1S/C11H17FN4O2/c1-18-10-8(12)5-15-11(16-10)14-4-7-2-3-13-6-9(7)17/h5,7,9,13,17H,2-4,6H2,1H3,(H,14,15,16)/t7-,9+/m0/s1
InChIKeyLGIORRMLKNRQIJ-IONNQARKSA-N
MW256.28 g/mol
LogP0.01
Rot. Bonds4

About (3S,4S)-4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]piperidin-3-ol

(3S,4S)-4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]piperidin-3-ol (PubChem CID 122563009) has the molecular formula C11H17FN4O2 and a molecular weight of 256.28 g/mol. Its IUPAC name is (3S,4S)-4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]piperidin-3-ol
PubChem CID122563009
Molecular FormulaC11H17FN4O2
Molecular Weight256.28 g/mol
Exact Mass256.13
IUPAC Name(3S,4S)-4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]piperidin-3-ol
SMILESCOc1nc(NC[C@@H]2CCNC[C@H]2O)ncc1F
InChIInChI=1S/C11H17FN4O2/c1-18-10-8(12)5-15-11(16-10)14-4-7-2-3-13-6-9(7)17/h5,7,9,13,17H,2-4,6H2,1H3,(H,14,15,16)/t7-,9+/m0/s1
InChIKeyLGIORRMLKNRQIJ-IONNQARKSA-N
XLogP0.01
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3S,4S)-4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]piperidin-3-ol with MolForge

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Related Compounds

[1-(5-Fluoro-4-methoxy-2-pyrimidinyl)-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72896260
(1-{[(5-Fluoro-4-methoxypyrimidin-2-YL)amino]methyl}cyclopentyl)methanol
CID 122560704
(1-{2-[(4-Ethoxypyrimidin-2-YL)amino]ethyl}piperidin-4-YL)methanol
CID 122566202
N-[2-(4-Ethylpiperidin-1-YL)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 129608927
(2S)-4-(5-fluoro-4-methoxypyrimidin-2-yl)-2-(2-methoxyethyl)morpholine
CID 129610917
2-[(2S)-1-(cyclopropylmethyl)-4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-2-yl]ethanol
CID 129619767
5-fluoro-N-[(1-isobutylpiperidin-4-yl)methyl]-4-methoxypyrimidin-2-amine
CID 129619994
N-[(1-acetylpiperidin-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 129621793
1-[(3S,4S)-4-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]-3-hydroxypiperidin-1-yl]-2-methoxyethanone
CID 164638359
2-Chloro-5-fluoro-4-(piperidin-4-ylmethoxy)pyrimidine
CID 132891762
(4aS*,8aS*)-2-(5-fluoro-4-methoxy-2-pyrimidinyl)octahydro-2,7-naphthyridin-4a(2H)-ol
CID 72886219
N-ethyl-5-fluoro-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine
CID 80870802

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]piperidin-3-ol?
The IUPAC name of (3S,4S)-4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]piperidin-3-ol (CID 122563009) is (3S,4S)-4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]piperidin-3-ol is COc1nc(NC[C@@H]2CCNC[C@H]2O)ncc1F.
What is the InChIKey of (3S,4S)-4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]piperidin-3-ol?
The InChIKey is LGIORRMLKNRQIJ-IONNQARKSA-N. The full InChI is InChI=1S/C11H17FN4O2/c1-18-10-8(12)5-15-11(16-10)14-4-7-2-3-13-6-9(7)17/h5,7,9,13,17H,2-4,6H2,1H3,(H,14,15,16)/t7-,9+/m0/s1.
What are the key properties of (3S,4S)-4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]piperidin-3-ol?
(3S,4S)-4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]piperidin-3-ol has a molecular weight of 256.28 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]piperidin-3-ol is sourced from PubChem (CID 122563009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).