(3S,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-3-methylpiperidin-4-ol

C10H15FN4O — CID 90184061

IUPAC(3S,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-3-methylpiperidin-4-ol
SMILESC[C@]1(F)CN(c2nccc(N)n2)CC[C@@H]1O
InChIInChI=1S/C10H15FN4O/c1-10(11)6-15(5-3-7(10)16)9-13-4-2-8(12)14-9/h2,4,7,16H,3,5-6H2,1H3,(H2,12,13,14)/t7-,10-/m0/s1
InChIKeyVOQUXWJRSPKSKC-XVKPBYJWSA-N
MW226.25 g/mol
LogP0.36
Rot. Bonds1

About (3S,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-3-methylpiperidin-4-ol

(3S,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-3-methylpiperidin-4-ol (PubChem CID 90184061) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is (3S,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-3-methylpiperidin-4-ol
PubChem CID90184061
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name(3S,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-3-methylpiperidin-4-ol
SMILESC[C@]1(F)CN(c2nccc(N)n2)CC[C@@H]1O
InChIInChI=1S/C10H15FN4O/c1-10(11)6-15(5-3-7(10)16)9-13-4-2-8(12)14-9/h2,4,7,16H,3,5-6H2,1H3,(H2,12,13,14)/t7-,10-/m0/s1
InChIKeyVOQUXWJRSPKSKC-XVKPBYJWSA-N
XLogP0.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-Pyrimidinyl)-4-piperidinemethanol
CID 2776521
(1-(((2-Amino-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol
CID 385194
1-(Pyrimidin-4-yl)piperidin-4-ol
CID 17959854
1-(2-Chloropyrimidin-4-Yl)Piperidin-3-Ol
CID 22309476
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-(Pyrimidin-2-yl)piperidin-3-ol
CID 24097085

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-3-methylpiperidin-4-ol?
The IUPAC name of (3S,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-3-methylpiperidin-4-ol (CID 90184061) is (3S,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-3-methylpiperidin-4-ol.
What is the SMILES notation for (3S,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-3-methylpiperidin-4-ol?
The canonical SMILES for (3S,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-3-methylpiperidin-4-ol is C[C@]1(F)CN(c2nccc(N)n2)CC[C@@H]1O.
What is the InChIKey of (3S,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-3-methylpiperidin-4-ol?
The InChIKey is VOQUXWJRSPKSKC-XVKPBYJWSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-10(11)6-15(5-3-7(10)16)9-13-4-2-8(12)14-9/h2,4,7,16H,3,5-6H2,1H3,(H2,12,13,14)/t7-,10-/m0/s1.
What are the key properties of (3S,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-3-methylpiperidin-4-ol?
(3S,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-3-methylpiperidin-4-ol has a molecular weight of 226.25 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-3-methylpiperidin-4-ol is sourced from PubChem (CID 90184061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).