2-[1H-imidazol-2-ylmethyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]ethanol

C14H21N5O — CID 135089314

IUPAC2-[1H-imidazol-2-ylmethyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]ethanol
SMILESCC(C)c1ncc(CN(CCO)Cc2ncc[nH]2)cn1
InChIInChI=1S/C14H21N5O/c1-11(2)14-17-7-12(8-18-14)9-19(5-6-20)10-13-15-3-4-16-13/h3-4,7-8,11,20H,5-6,9-10H2,1-2H3,(H,15,16)
InChIKeySIXLNMGZGSLLGO-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.32
Rot. Bonds7

About 2-[1H-imidazol-2-ylmethyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]ethanol

2-[1H-imidazol-2-ylmethyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]ethanol (PubChem CID 135089314) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[1H-imidazol-2-ylmethyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[1H-imidazol-2-ylmethyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]ethanol
PubChem CID135089314
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-[1H-imidazol-2-ylmethyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]ethanol
SMILESCC(C)c1ncc(CN(CCO)Cc2ncc[nH]2)cn1
InChIInChI=1S/C14H21N5O/c1-11(2)14-17-7-12(8-18-14)9-19(5-6-20)10-13-15-3-4-16-13/h3-4,7-8,11,20H,5-6,9-10H2,1-2H3,(H,15,16)
InChIKeySIXLNMGZGSLLGO-UHFFFAOYSA-N
XLogP1.32
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-{2-[2-(methoxymethyl)pyrimidin-5-yl]-1H-imidazol-1-yl}ethyl)dimethylamine
CID 56867185
[5-(1H-imidazol-2-yl)pyrimidin-2-yl]methanamine
CID 177798164
2-[5-(1H-imidazol-2-yl)pyrimidin-2-yl]ethan-1-amine
CID 177801207
2-[[2-(2-Ethylimidazol-1-yl)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
CID 172461149
2-[2-Hydroxyethyl-[2-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethanol
CID 172465795
2-[2-Hydroxyethyl-[2-(2-propan-2-ylimidazol-1-yl)pyrimidin-4-yl]amino]ethanol
CID 172465951
2-[2-[(4-Amino-5-fluoropyrimidin-2-yl)amino]imidazol-1-yl]ethanol
CID 126565156
2-[2-[[5-Fluoro-4-(methylamino)pyrimidin-2-yl]amino]imidazol-1-yl]ethanol
CID 126565160
5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 50962154
1-{2-[(1H-Imidazol-2-ylmethyl)(methyl)amino]pyrimidin-4-YL}pyrrolidin-3-OL
CID 50963891
5-{1-[2-(dimethylamino)ethyl]-1H-imidazol-2-yl}-N-ethylpyrimidin-2-amine
CID 56750244
2-[[5-Methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol
CID 117088622

Frequently Asked Questions

What is the IUPAC name of 2-[1H-imidazol-2-ylmethyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]ethanol?
The IUPAC name of 2-[1H-imidazol-2-ylmethyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]ethanol (CID 135089314) is 2-[1H-imidazol-2-ylmethyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[1H-imidazol-2-ylmethyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[1H-imidazol-2-ylmethyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]ethanol is CC(C)c1ncc(CN(CCO)Cc2ncc[nH]2)cn1.
What is the InChIKey of 2-[1H-imidazol-2-ylmethyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]ethanol?
The InChIKey is SIXLNMGZGSLLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11(2)14-17-7-12(8-18-14)9-19(5-6-20)10-13-15-3-4-16-13/h3-4,7-8,11,20H,5-6,9-10H2,1-2H3,(H,15,16).
What are the key properties of 2-[1H-imidazol-2-ylmethyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]ethanol?
2-[1H-imidazol-2-ylmethyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]ethanol has a molecular weight of 275.36 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-imidazol-2-ylmethyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]ethanol is sourced from PubChem (CID 135089314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).