[(2R)-1-(6-imidazol-1-ylpyrimidin-4-yl)-5,5-dimethylpiperidin-2-yl]methanol

C15H21N5O — CID 164637028

IUPAC[(2R)-1-(6-imidazol-1-ylpyrimidin-4-yl)-5,5-dimethylpiperidin-2-yl]methanol
SMILESCC1(C)CC[C@H](CO)N(c2cc(-n3ccnc3)ncn2)C1
InChIInChI=1S/C15H21N5O/c1-15(2)4-3-12(8-21)20(9-15)14-7-13(17-10-18-14)19-6-5-16-11-19/h5-7,10-12,21H,3-4,8-9H2,1-2H3/t12-/m1/s1
InChIKeyGMKYLERTAKTDKU-GFCCVEGCSA-N
MW287.37 g/mol
LogP1.65
Rot. Bonds3

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

[(2R)-1-(6-imidazol-1-ylpyrimidin-4-yl)-5,5-dimethylpiperidin-2-yl]methanol (PubChem CID 164637028) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is [(2R)-1-(6-imidazol-1-ylpyrimidin-4-yl)-5,5-dimethylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(6-imidazol-1-ylpyrimidin-4-yl)-5,5-dimethylpiperidin-2-yl]methanol
PubChem CID164637028
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name[(2R)-1-(6-imidazol-1-ylpyrimidin-4-yl)-5,5-dimethylpiperidin-2-yl]methanol
SMILESCC1(C)CC[C@H](CO)N(c2cc(-n3ccnc3)ncn2)C1
InChIInChI=1S/C15H21N5O/c1-15(2)4-3-12(8-21)20(9-15)14-7-13(17-10-18-14)19-6-5-16-11-19/h5-7,10-12,21H,3-4,8-9H2,1-2H3/t12-/m1/s1
InChIKeyGMKYLERTAKTDKU-GFCCVEGCSA-N
XLogP1.65
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-{methyl[(1-methyl-1H-imidazol-2-yl)methyl]amino}pyrimidin-4-yl)piperidin-3-ol
CID 50979500
3-(Methoxymethyl)-8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118743452
6-imidazol-1-yl-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]pyrimidin-4-amine
CID 95981418
(3S)-1-[2-[[1-(imidazol-1-ylmethyl)cyclopropyl]methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 164631072
[(2R)-4-(6-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol
CID 164633059
[1-[6-[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-2-yl]methanol
CID 133535570
1-[(1H-imidazol-1-yl)pyrimidin-4-yl]piperidine-2-ethanol
CID 22487967
2-[1-(6-Chloro-2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 22560536
(3R)-5-tert-butyl-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 67953160
(3R)-5-tert-butyl-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 67953165
(3R)-5-tert-butyl-1-pyrimidin-4-ylpyrrolidin-3-ol
CID 67953166
(3R)-5-ethyl-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 67953778

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(6-imidazol-1-ylpyrimidin-4-yl)-5,5-dimethylpiperidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(6-imidazol-1-ylpyrimidin-4-yl)-5,5-dimethylpiperidin-2-yl]methanol (CID 164637028) is [(2R)-1-(6-imidazol-1-ylpyrimidin-4-yl)-5,5-dimethylpiperidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(6-imidazol-1-ylpyrimidin-4-yl)-5,5-dimethylpiperidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(6-imidazol-1-ylpyrimidin-4-yl)-5,5-dimethylpiperidin-2-yl]methanol is CC1(C)CC[C@H](CO)N(c2cc(-n3ccnc3)ncn2)C1.
What is the InChIKey of [(2R)-1-(6-imidazol-1-ylpyrimidin-4-yl)-5,5-dimethylpiperidin-2-yl]methanol?
The InChIKey is GMKYLERTAKTDKU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5O/c1-15(2)4-3-12(8-21)20(9-15)14-7-13(17-10-18-14)19-6-5-16-11-19/h5-7,10-12,21H,3-4,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of [(2R)-1-(6-imidazol-1-ylpyrimidin-4-yl)-5,5-dimethylpiperidin-2-yl]methanol?
[(2R)-1-(6-imidazol-1-ylpyrimidin-4-yl)-5,5-dimethylpiperidin-2-yl]methanol has a molecular weight of 287.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(6-imidazol-1-ylpyrimidin-4-yl)-5,5-dimethylpiperidin-2-yl]methanol is sourced from PubChem (CID 164637028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).