(4R,5S)-1-(4-aminopyrimidin-2-yl)-5-fluoro-3,3-dimethylpiperidin-4-ol

C11H17FN4O — CID 131745622

IUPAC(4R,5S)-1-(4-aminopyrimidin-2-yl)-5-fluoro-3,3-dimethylpiperidin-4-ol
SMILESCC1(C)CN(c2nccc(N)n2)C[C@H](F)[C@@H]1O
InChIInChI=1S/C11H17FN4O/c1-11(2)6-16(5-7(12)9(11)17)10-14-4-3-8(13)15-10/h3-4,7,9,17H,5-6H2,1-2H3,(H2,13,14,15)/t7-,9-/m0/s1
InChIKeyZOEKCENURXDWHS-CBAPKCEASA-N
MW240.28 g/mol
LogP0.60
Rot. Bonds1

About (4R,5S)-1-(4-aminopyrimidin-2-yl)-5-fluoro-3,3-dimethylpiperidin-4-ol

(4R,5S)-1-(4-aminopyrimidin-2-yl)-5-fluoro-3,3-dimethylpiperidin-4-ol (PubChem CID 131745622) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is (4R,5S)-1-(4-aminopyrimidin-2-yl)-5-fluoro-3,3-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name(4R,5S)-1-(4-aminopyrimidin-2-yl)-5-fluoro-3,3-dimethylpiperidin-4-ol
PubChem CID131745622
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name(4R,5S)-1-(4-aminopyrimidin-2-yl)-5-fluoro-3,3-dimethylpiperidin-4-ol
SMILESCC1(C)CN(c2nccc(N)n2)C[C@H](F)[C@@H]1O
InChIInChI=1S/C11H17FN4O/c1-11(2)6-16(5-7(12)9(11)17)10-14-4-3-8(13)15-10/h3-4,7,9,17H,5-6H2,1-2H3,(H2,13,14,15)/t7-,9-/m0/s1
InChIKeyZOEKCENURXDWHS-CBAPKCEASA-N
XLogP0.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R,5S)-1-(4-aminopyrimidin-2-yl)-5-fluoro-3,3-dimethylpiperidin-4-ol with MolForge

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Related Compounds

3-[(2-Aminopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366516
1-(Pyrimidin-2-yl)piperidin-4-ol
CID 20234098
(1-(((2-Amino-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol
CID 385194
1-(Pyrimidin-4-yl)piperidin-4-ol
CID 17959854
1-(2-Aminopyrimidin-4-yl)piperidin-3-ol
CID 66520509
2-(4-Methoxypiperidin-1-yl)pyrimidin-4-amine
CID 90176595
[(3R*,4R*)-1-(2-amino-4-pyrimidinyl)-4-(1-piperidinylmethyl)-3-pyrrolidinyl]methanol
CID 72890329
1-[3-(Pyrimidin-2-ylamino)propyl]piperidin-4-OL
CID 72897179
2-((3S,4R)-3-Fluoro-4-methoxypiperidin-1-yl)pyrimidin-4-amine
CID 90176636
[1-(2-Amino-4-pyrimidinyl)-3-(3-methyl-2-buten-1-yl)-3-piperidinyl]methanol
CID 72901817
[2-(Pyrimidin-4-YL)-2,8-diazaspiro[4.5]decan-4-YL]methanol
CID 91910433
1-[4-(Dimethylamino)-5-methyl-2-pyrimidinyl]-4-piperidinol
CID 39830890

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-1-(4-aminopyrimidin-2-yl)-5-fluoro-3,3-dimethylpiperidin-4-ol?
The IUPAC name of (4R,5S)-1-(4-aminopyrimidin-2-yl)-5-fluoro-3,3-dimethylpiperidin-4-ol (CID 131745622) is (4R,5S)-1-(4-aminopyrimidin-2-yl)-5-fluoro-3,3-dimethylpiperidin-4-ol.
What is the SMILES notation for (4R,5S)-1-(4-aminopyrimidin-2-yl)-5-fluoro-3,3-dimethylpiperidin-4-ol?
The canonical SMILES for (4R,5S)-1-(4-aminopyrimidin-2-yl)-5-fluoro-3,3-dimethylpiperidin-4-ol is CC1(C)CN(c2nccc(N)n2)C[C@H](F)[C@@H]1O.
What is the InChIKey of (4R,5S)-1-(4-aminopyrimidin-2-yl)-5-fluoro-3,3-dimethylpiperidin-4-ol?
The InChIKey is ZOEKCENURXDWHS-CBAPKCEASA-N. The full InChI is InChI=1S/C11H17FN4O/c1-11(2)6-16(5-7(12)9(11)17)10-14-4-3-8(13)15-10/h3-4,7,9,17H,5-6H2,1-2H3,(H2,13,14,15)/t7-,9-/m0/s1.
What are the key properties of (4R,5S)-1-(4-aminopyrimidin-2-yl)-5-fluoro-3,3-dimethylpiperidin-4-ol?
(4R,5S)-1-(4-aminopyrimidin-2-yl)-5-fluoro-3,3-dimethylpiperidin-4-ol has a molecular weight of 240.28 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-1-(4-aminopyrimidin-2-yl)-5-fluoro-3,3-dimethylpiperidin-4-ol is sourced from PubChem (CID 131745622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).