2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]ethanol

C12H16N4O2 — CID 117090414

IUPAC2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]ethanol
SMILESCc1cnc(-c2c(C)noc2C)nc1NCCO
InChIInChI=1S/C12H16N4O2/c1-7-6-14-12(15-11(7)13-4-5-17)10-8(2)16-18-9(10)3/h6,17H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyDWTYZOFJMHIEAP-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.46
Rot. Bonds4

About 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]ethanol

2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]ethanol (PubChem CID 117090414) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]ethanol
PubChem CID117090414
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]ethanol
SMILESCc1cnc(-c2c(C)noc2C)nc1NCCO
InChIInChI=1S/C12H16N4O2/c1-7-6-14-12(15-11(7)13-4-5-17)10-8(2)16-18-9(10)3/h6,17H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyDWTYZOFJMHIEAP-UHFFFAOYSA-N
XLogP1.46
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]ethanol (CID 117090414) is 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]ethanol is Cc1cnc(-c2c(C)noc2C)nc1NCCO.
What is the InChIKey of 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]ethanol?
The InChIKey is DWTYZOFJMHIEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7-6-14-12(15-11(7)13-4-5-17)10-8(2)16-18-9(10)3/h6,17H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]ethanol?
2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]ethanol has a molecular weight of 248.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 117090414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).