(S)-[1-(5-bromopyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol

C13H16BrN5O — CID 124883293

IUPAC(S)-[1-(5-bromopyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol
SMILESO[C@H](c1ncc[nH]1)C1CCN(c2ncncc2Br)CC1
InChIInChI=1S/C13H16BrN5O/c14-10-7-15-8-18-13(10)19-5-1-9(2-6-19)11(20)12-16-3-4-17-12/h3-4,7-9,11,20H,1-2,5-6H2,(H,16,17)/t11-/m0/s1
InChIKeyDTLVOMDRINWWKN-NSHDSACASA-N
MW338.21 g/mol
LogP1.91
Rot. Bonds3

About (S)-[1-(5-bromopyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol

(S)-[1-(5-bromopyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol (PubChem CID 124883293) has the molecular formula C13H16BrN5O and a molecular weight of 338.21 g/mol. Its IUPAC name is (S)-[1-(5-bromopyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol.

Molecular Properties

Compound Name(S)-[1-(5-bromopyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol
PubChem CID124883293
Molecular FormulaC13H16BrN5O
Molecular Weight338.21 g/mol
Exact Mass337.05
IUPAC Name(S)-[1-(5-bromopyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol
SMILESO[C@H](c1ncc[nH]1)C1CCN(c2ncncc2Br)CC1
InChIInChI=1S/C13H16BrN5O/c14-10-7-15-8-18-13(10)19-5-1-9(2-6-19)11(20)12-16-3-4-17-12/h3-4,7-9,11,20H,1-2,5-6H2,(H,16,17)/t11-/m0/s1
InChIKeyDTLVOMDRINWWKN-NSHDSACASA-N
XLogP1.91
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (S)-[1-(5-bromopyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol?
The IUPAC name of (S)-[1-(5-bromopyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol (CID 124883293) is (S)-[1-(5-bromopyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol.
What is the SMILES notation for (S)-[1-(5-bromopyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol?
The canonical SMILES for (S)-[1-(5-bromopyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol is O[C@H](c1ncc[nH]1)C1CCN(c2ncncc2Br)CC1.
What is the InChIKey of (S)-[1-(5-bromopyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol?
The InChIKey is DTLVOMDRINWWKN-NSHDSACASA-N. The full InChI is InChI=1S/C13H16BrN5O/c14-10-7-15-8-18-13(10)19-5-1-9(2-6-19)11(20)12-16-3-4-17-12/h3-4,7-9,11,20H,1-2,5-6H2,(H,16,17)/t11-/m0/s1.
What are the key properties of (S)-[1-(5-bromopyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol?
(S)-[1-(5-bromopyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol has a molecular weight of 338.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-(5-bromopyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol is sourced from PubChem (CID 124883293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).