[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol

C15H21N5O2 — CID 139010879

IUPAC[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol
SMILESCCOc1cc(N2CCC(C(O)c3ncc[nH]3)CC2)ncn1
InChIInChI=1S/C15H21N5O2/c1-2-22-13-9-12(18-10-19-13)20-7-3-11(4-8-20)14(21)15-16-5-6-17-15/h5-6,9-11,14,21H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyCRRDIQLSTHUQTD-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.55
Rot. Bonds5

About [1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol

[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol (PubChem CID 139010879) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is [1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol
PubChem CID139010879
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol
SMILESCCOc1cc(N2CCC(C(O)c3ncc[nH]3)CC2)ncn1
InChIInChI=1S/C15H21N5O2/c1-2-22-13-9-12(18-10-19-13)20-7-3-11(4-8-20)14(21)15-16-5-6-17-15/h5-6,9-11,14,21H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyCRRDIQLSTHUQTD-UHFFFAOYSA-N
XLogP1.55
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 124883228
1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride
CID 66569687
(R)-1H-imidazol-2-yl-(1-quinoxalin-2-ylpiperidin-4-yl)methanol
CID 129447683
4-[4-(2-chloroethoxy)piperidin-1-yl]-6-ethoxypyrimidine
CID 82702047
1-(6-ethoxypyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 86797858
4-ethoxy-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine
CID 75510045
3-(6-ethoxypyrimidin-4-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 133490367
1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 86795906
cyclopropyl-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133498837
N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide
CID 133464534
(1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 97245444
tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
CID 66569666

Frequently Asked Questions

What is the IUPAC name of [1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol?
The IUPAC name of [1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol (CID 139010879) is [1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol.
What is the SMILES notation for [1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol?
The canonical SMILES for [1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol is CCOc1cc(N2CCC(C(O)c3ncc[nH]3)CC2)ncn1.
What is the InChIKey of [1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol?
The InChIKey is CRRDIQLSTHUQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-2-22-13-9-12(18-10-19-13)20-7-3-11(4-8-20)14(21)15-16-5-6-17-15/h5-6,9-11,14,21H,2-4,7-8H2,1H3,(H,16,17).
What are the key properties of [1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol?
[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol has a molecular weight of 303.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol is sourced from PubChem (CID 139010879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).