(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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Related Compounds

(3S)-1-[2-[[1-(imidazol-1-ylmethyl)cyclopropyl]methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 164631072
1H-imidazol-2-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 121548313
(R)-1H-imidazol-2-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 124884128
(S)-1H-imidazol-2-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 124884129
{1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl}(1-methyl-1H-imidazol-2-yl)methanol
CID 137336879
1-(2-{[2-(1H-Imidazol-2-YL)ethyl]amino}pyrimidin-4-YL)piperidin-4-OL
CID 50964902
2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-3-yl]ethanol
CID 139358723
2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 153331198
[1-(4-amino-5-methyl-2-pyrimidinyl)-4-piperidinyl](1-methyl-1H-imidazol-2-yl)methanol
CID 45597464
1-[2-[[1-(Imidazol-1-ylmethyl)cyclopropyl]methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50951559
[1-[(4-Aminopyrimidin-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 109883295
[1-(5-bromopyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol
CID 121548311

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).