[(1S,3R)-3-[2-[2-(dimethylamino)pyrimidin-5-yl]imidazol-1-yl]cyclohexyl]methanol

C16H23N5O — CID 154823973

IUPAC[(1S,3R)-3-[2-[2-(dimethylamino)pyrimidin-5-yl]imidazol-1-yl]cyclohexyl]methanol
SMILESCN(C)c1ncc(-c2nccn2[C@@H]2CCC[C@H](CO)C2)cn1
InChIInChI=1S/C16H23N5O/c1-20(2)16-18-9-13(10-19-16)15-17-6-7-21(15)14-5-3-4-12(8-14)11-22/h6-7,9-10,12,14,22H,3-5,8,11H2,1-2H3/t12-,14+/m0/s1
InChIKeyXDNWHNYSQUWTOF-GXTWGEPZSA-N
MW301.39 g/mol
LogP2.13
Rot. Bonds4

About [(1S,3R)-3-[2-[2-(dimethylamino)pyrimidin-5-yl]imidazol-1-yl]cyclohexyl]methanol

[(1S,3R)-3-[2-[2-(dimethylamino)pyrimidin-5-yl]imidazol-1-yl]cyclohexyl]methanol (PubChem CID 154823973) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is [(1S,3R)-3-[2-[2-(dimethylamino)pyrimidin-5-yl]imidazol-1-yl]cyclohexyl]methanol.

Molecular Properties

Compound Name[(1S,3R)-3-[2-[2-(dimethylamino)pyrimidin-5-yl]imidazol-1-yl]cyclohexyl]methanol
PubChem CID154823973
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name[(1S,3R)-3-[2-[2-(dimethylamino)pyrimidin-5-yl]imidazol-1-yl]cyclohexyl]methanol
SMILESCN(C)c1ncc(-c2nccn2[C@@H]2CCC[C@H](CO)C2)cn1
InChIInChI=1S/C16H23N5O/c1-20(2)16-18-9-13(10-19-16)15-17-6-7-21(15)14-5-3-4-12(8-14)11-22/h6-7,9-10,12,14,22H,3-5,8,11H2,1-2H3/t12-,14+/m0/s1
InChIKeyXDNWHNYSQUWTOF-GXTWGEPZSA-N
XLogP2.13
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2-methylimidazol-1-yl)cyclohexyl]methanol
CID 174383256
[(1S,3R)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]cyclohexyl]methanol
CID 155505550
5-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-N,N-dimethylpyrimidin-2-amine
CID 154817183
[(1S,3R)-3-[2-(6-methylquinolin-5-yl)imidazol-1-yl]cyclohexyl]methanol
CID 155503395
methyl 6-[1-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]imidazol-2-yl]pyridine-2-carboxylate
CID 165421967
2-[2-[1-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]imidazol-2-yl]phenoxy]-1-(4-methylpiperidin-1-yl)ethanone
CID 154818401
2-(3-iodophenyl)-1-(3-methylcyclohexyl)imidazole
CID 79787135
trans-(1R,3R)-3-[2-(4-methylsulfonylphenyl)imidazol-1-yl]cyclohexan-1-amine
CID 154566008
[(1S,3R)-3-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]cyclohexyl]methanamine
CID 155508699
4-[1-[(2R,4R)-1,2-dimethylpiperidin-4-yl]imidazol-2-yl]phenol
CID 155493826
1-[3-(hydroxymethyl)cyclohexyl]-3,4-dimethylpyrrole-2,5-dione
CID 112753080
cis-(1S,3R)-3-[2-(4-butylphenyl)imidazol-1-yl]cyclohexan-1-ol;formic acid
CID 154919518

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[2-[2-(dimethylamino)pyrimidin-5-yl]imidazol-1-yl]cyclohexyl]methanol?
The IUPAC name of [(1S,3R)-3-[2-[2-(dimethylamino)pyrimidin-5-yl]imidazol-1-yl]cyclohexyl]methanol (CID 154823973) is [(1S,3R)-3-[2-[2-(dimethylamino)pyrimidin-5-yl]imidazol-1-yl]cyclohexyl]methanol.
What is the SMILES notation for [(1S,3R)-3-[2-[2-(dimethylamino)pyrimidin-5-yl]imidazol-1-yl]cyclohexyl]methanol?
The canonical SMILES for [(1S,3R)-3-[2-[2-(dimethylamino)pyrimidin-5-yl]imidazol-1-yl]cyclohexyl]methanol is CN(C)c1ncc(-c2nccn2[C@@H]2CCC[C@H](CO)C2)cn1.
What is the InChIKey of [(1S,3R)-3-[2-[2-(dimethylamino)pyrimidin-5-yl]imidazol-1-yl]cyclohexyl]methanol?
The InChIKey is XDNWHNYSQUWTOF-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H23N5O/c1-20(2)16-18-9-13(10-19-16)15-17-6-7-21(15)14-5-3-4-12(8-14)11-22/h6-7,9-10,12,14,22H,3-5,8,11H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of [(1S,3R)-3-[2-[2-(dimethylamino)pyrimidin-5-yl]imidazol-1-yl]cyclohexyl]methanol?
[(1S,3R)-3-[2-[2-(dimethylamino)pyrimidin-5-yl]imidazol-1-yl]cyclohexyl]methanol has a molecular weight of 301.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[2-[2-(dimethylamino)pyrimidin-5-yl]imidazol-1-yl]cyclohexyl]methanol is sourced from PubChem (CID 154823973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).