2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-[(1-methylimidazol-2-yl)methyl]amino]ethanol

C14H18N6O2 — CID 46995258

IUPAC2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-[(1-methylimidazol-2-yl)methyl]amino]ethanol
SMILESCc1nc(N(CCO)Cc2nccn2C)c2nc(C)oc2n1
InChIInChI=1S/C14H18N6O2/c1-9-16-13(12-14(17-9)22-10(2)18-12)20(6-7-21)8-11-15-4-5-19(11)3/h4-5,21H,6-8H2,1-3H3
InChIKeyXWFQRSYEGGZHTC-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.97
Rot. Bonds5

About 2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-[(1-methylimidazol-2-yl)methyl]amino]ethanol

2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-[(1-methylimidazol-2-yl)methyl]amino]ethanol (PubChem CID 46995258) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-[(1-methylimidazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-[(1-methylimidazol-2-yl)methyl]amino]ethanol
PubChem CID46995258
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-[(1-methylimidazol-2-yl)methyl]amino]ethanol
SMILESCc1nc(N(CCO)Cc2nccn2C)c2nc(C)oc2n1
InChIInChI=1S/C14H18N6O2/c1-9-16-13(12-14(17-9)22-10(2)18-12)20(6-7-21)8-11-15-4-5-19(11)3/h4-5,21H,6-8H2,1-3H3
InChIKeyXWFQRSYEGGZHTC-UHFFFAOYSA-N
XLogP0.97
TPSA93.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-[(1-methylimidazol-2-yl)methyl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-[(1-methylimidazol-2-yl)methyl]amino]ethanol (CID 46995258) is 2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-[(1-methylimidazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-[(1-methylimidazol-2-yl)methyl]amino]ethanol is Cc1nc(N(CCO)Cc2nccn2C)c2nc(C)oc2n1.
What is the InChIKey of 2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The InChIKey is XWFQRSYEGGZHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-9-16-13(12-14(17-9)22-10(2)18-12)20(6-7-21)8-11-15-4-5-19(11)3/h4-5,21H,6-8H2,1-3H3.
What are the key properties of 2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-[(1-methylimidazol-2-yl)methyl]amino]ethanol has a molecular weight of 302.34 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-[(1-methylimidazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 46995258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).