2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]ethanol

C11H18FN3O — CID 100672941

IUPAC2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]ethanol
SMILESCCc1ncnc(N(CCO)C(C)C)c1F
InChIInChI=1S/C11H18FN3O/c1-4-9-10(12)11(14-7-13-9)15(5-6-16)8(2)3/h7-8,16H,4-6H2,1-3H3
InChIKeyQJPCKSXYGYFRIN-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.39
Rot. Bonds5

About 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]ethanol

2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]ethanol (PubChem CID 100672941) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]ethanol
PubChem CID100672941
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]ethanol
SMILESCCc1ncnc(N(CCO)C(C)C)c1F
InChIInChI=1S/C11H18FN3O/c1-4-9-10(12)11(14-7-13-9)15(5-6-16)8(2)3/h7-8,16H,4-6H2,1-3H3
InChIKeyQJPCKSXYGYFRIN-UHFFFAOYSA-N
XLogP1.39
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]ethanol (CID 100672941) is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]ethanol is CCc1ncnc(N(CCO)C(C)C)c1F.
What is the InChIKey of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]ethanol?
The InChIKey is QJPCKSXYGYFRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-4-9-10(12)11(14-7-13-9)15(5-6-16)8(2)3/h7-8,16H,4-6H2,1-3H3.
What are the key properties of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]ethanol?
2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]ethanol has a molecular weight of 227.28 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]ethanol is sourced from PubChem (CID 100672941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).