2-[2-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]imidazol-1-yl]ethanol

C14H19N5O2 — CID 56755962

IUPAC2-[2-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]imidazol-1-yl]ethanol
SMILESOCCn1ccnc1-c1cnc(NCC2CCCO2)nc1
InChIInChI=1S/C14H19N5O2/c20-6-5-19-4-3-15-13(19)11-8-16-14(17-9-11)18-10-12-2-1-7-21-12/h3-4,8-9,12,20H,1-2,5-7,10H2,(H,16,17,18)
InChIKeyXTNFZDWWICGICK-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.92
Rot. Bonds6

About 2-[2-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]imidazol-1-yl]ethanol

2-[2-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]imidazol-1-yl]ethanol (PubChem CID 56755962) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[2-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]imidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]imidazol-1-yl]ethanol
PubChem CID56755962
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-[2-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]imidazol-1-yl]ethanol
SMILESOCCn1ccnc1-c1cnc(NCC2CCCO2)nc1
InChIInChI=1S/C14H19N5O2/c20-6-5-19-4-3-15-13(19)11-8-16-14(17-9-11)18-10-12-2-1-7-21-12/h3-4,8-9,12,20H,1-2,5-7,10H2,(H,16,17,18)
InChIKeyXTNFZDWWICGICK-UHFFFAOYSA-N
XLogP0.92
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 154565762
5-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;formic acid
CID 155939309
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine
CID 119130029
morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252032
5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 61145596
5-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine
CID 63208180
2-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111772275
1-cyclopropyl-N-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560101
[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109252552
2-(4-chlorophenyl)-1-[2-(oxan-2-yl)ethyl]imidazole
CID 56865531
N-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109251671

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]imidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]imidazol-1-yl]ethanol (CID 56755962) is 2-[2-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]imidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]imidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]imidazol-1-yl]ethanol is OCCn1ccnc1-c1cnc(NCC2CCCO2)nc1.
What is the InChIKey of 2-[2-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]imidazol-1-yl]ethanol?
The InChIKey is XTNFZDWWICGICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c20-6-5-19-4-3-15-13(19)11-8-16-14(17-9-11)18-10-12-2-1-7-21-12/h3-4,8-9,12,20H,1-2,5-7,10H2,(H,16,17,18).
What are the key properties of 2-[2-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]imidazol-1-yl]ethanol?
2-[2-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]imidazol-1-yl]ethanol has a molecular weight of 289.34 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]imidazol-1-yl]ethanol is sourced from PubChem (CID 56755962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).