[(2S,5R)-1-(2,6-dichloropyrimidin-4-yl)-2,5-dimethylpiperidin-2-yl]methanol

C12H17Cl2N3O — CID 167344099

IUPAC[(2S,5R)-1-(2,6-dichloropyrimidin-4-yl)-2,5-dimethylpiperidin-2-yl]methanol
SMILESC[C@@H]1CC[C@@](C)(CO)N(c2cc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C12H17Cl2N3O/c1-8-3-4-12(2,7-18)17(6-8)10-5-9(13)15-11(14)16-10/h5,8,18H,3-4,6-7H2,1-2H3/t8-,12+/m1/s1
InChIKeyOSQBNNKHEQYNJB-PELKAZGASA-N
MW290.19 g/mol
LogP2.77
Rot. Bonds2

About [(2S,5R)-1-(2,6-dichloropyrimidin-4-yl)-2,5-dimethylpiperidin-2-yl]methanol

[(2S,5R)-1-(2,6-dichloropyrimidin-4-yl)-2,5-dimethylpiperidin-2-yl]methanol (PubChem CID 167344099) has the molecular formula C12H17Cl2N3O and a molecular weight of 290.19 g/mol. Its IUPAC name is [(2S,5R)-1-(2,6-dichloropyrimidin-4-yl)-2,5-dimethylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-1-(2,6-dichloropyrimidin-4-yl)-2,5-dimethylpiperidin-2-yl]methanol
PubChem CID167344099
Molecular FormulaC12H17Cl2N3O
Molecular Weight290.19 g/mol
Exact Mass289.07
IUPAC Name[(2S,5R)-1-(2,6-dichloropyrimidin-4-yl)-2,5-dimethylpiperidin-2-yl]methanol
SMILESC[C@@H]1CC[C@@](C)(CO)N(c2cc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C12H17Cl2N3O/c1-8-3-4-12(2,7-18)17(6-8)10-5-9(13)15-11(14)16-10/h5,8,18H,3-4,6-7H2,1-2H3/t8-,12+/m1/s1
InChIKeyOSQBNNKHEQYNJB-PELKAZGASA-N
XLogP2.77
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,5R)-1-(2,6-dichloropyrimidin-4-yl)-2,5-dimethylpiperidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(6-Chloropyrimidin-4-yl)piperidin-3-yl]methanol
CID 22309478
(2S)-2-[[6-chloro-2-(3,3-difluorocyclobutyl)pyrimidin-4-yl]-methylamino]-3-methylbutan-1-ol
CID 152877406
(1R)-1-[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
CID 129320636
4-chloro-6-[(2S)-2-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidine
CID 129322392
(3S,4S)-1-(6-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 129381023
[1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 106767232
1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylpiperidin-3-ol
CID 106768509
2-[1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]ethanol
CID 107228409
[1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol
CID 113875230
4-Chloro-2-(4-hydroxybutyl)-6-morpholinopyrimidine
CID 22046929
[(3S)-1-(6-chloropyrimidin-4-yl)piperidin-3-yl]methanol
CID 51895265
4-(4-Chloro-6-morpholin-4-yl-pyrimidin-2-yl)-2-methyl-butan-2-ol
CID 58085746

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-1-(2,6-dichloropyrimidin-4-yl)-2,5-dimethylpiperidin-2-yl]methanol?
The IUPAC name of [(2S,5R)-1-(2,6-dichloropyrimidin-4-yl)-2,5-dimethylpiperidin-2-yl]methanol (CID 167344099) is [(2S,5R)-1-(2,6-dichloropyrimidin-4-yl)-2,5-dimethylpiperidin-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-1-(2,6-dichloropyrimidin-4-yl)-2,5-dimethylpiperidin-2-yl]methanol?
The canonical SMILES for [(2S,5R)-1-(2,6-dichloropyrimidin-4-yl)-2,5-dimethylpiperidin-2-yl]methanol is C[C@@H]1CC[C@@](C)(CO)N(c2cc(Cl)nc(Cl)n2)C1.
What is the InChIKey of [(2S,5R)-1-(2,6-dichloropyrimidin-4-yl)-2,5-dimethylpiperidin-2-yl]methanol?
The InChIKey is OSQBNNKHEQYNJB-PELKAZGASA-N. The full InChI is InChI=1S/C12H17Cl2N3O/c1-8-3-4-12(2,7-18)17(6-8)10-5-9(13)15-11(14)16-10/h5,8,18H,3-4,6-7H2,1-2H3/t8-,12+/m1/s1.
What are the key properties of [(2S,5R)-1-(2,6-dichloropyrimidin-4-yl)-2,5-dimethylpiperidin-2-yl]methanol?
[(2S,5R)-1-(2,6-dichloropyrimidin-4-yl)-2,5-dimethylpiperidin-2-yl]methanol has a molecular weight of 290.19 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-1-(2,6-dichloropyrimidin-4-yl)-2,5-dimethylpiperidin-2-yl]methanol is sourced from PubChem (CID 167344099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).