2-[(6-ethyl-5-fluoropyrimidin-4-yl)-pentan-3-ylamino]ethanol

C13H22FN3O — CID 114045772

IUPAC2-[(6-ethyl-5-fluoropyrimidin-4-yl)-pentan-3-ylamino]ethanol
SMILESCCc1ncnc(N(CCO)C(CC)CC)c1F
InChIInChI=1S/C13H22FN3O/c1-4-10(5-2)17(7-8-18)13-12(14)11(6-3)15-9-16-13/h9-10,18H,4-8H2,1-3H3
InChIKeyKBQYYBPMUSDCHV-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.17
Rot. Bonds7

About 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-pentan-3-ylamino]ethanol

2-[(6-ethyl-5-fluoropyrimidin-4-yl)-pentan-3-ylamino]ethanol (PubChem CID 114045772) has the molecular formula C13H22FN3O and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)-pentan-3-ylamino]ethanol
PubChem CID114045772
Molecular FormulaC13H22FN3O
Molecular Weight255.34 g/mol
Exact Mass255.17
IUPAC Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)-pentan-3-ylamino]ethanol
SMILESCCc1ncnc(N(CCO)C(CC)CC)c1F
InChIInChI=1S/C13H22FN3O/c1-4-10(5-2)17(7-8-18)13-12(14)11(6-3)15-9-16-13/h9-10,18H,4-8H2,1-3H3
InChIKeyKBQYYBPMUSDCHV-UHFFFAOYSA-N
XLogP2.17
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 114045771
2-[benzyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol
CID 103879721
2-[(6-chloro-5-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 55229696
2-[(6-methylsulfanylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 106973440
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80811048
5-fluoro-2-[2-hydroxyethyl(pentan-3-yl)amino]pyridine-3-carboxylic acid
CID 114034416
N'-(6-ethyl-5-fluoropyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 114045824
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80905174
2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80811446
3-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]butanethioamide
CID 114045573
2-[(1-methylimidazol-2-yl)-pentan-3-ylamino]ethanol
CID 62131662
2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80752118

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-pentan-3-ylamino]ethanol (CID 114045772) is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-pentan-3-ylamino]ethanol is CCc1ncnc(N(CCO)C(CC)CC)c1F.
What is the InChIKey of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The InChIKey is KBQYYBPMUSDCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3O/c1-4-10(5-2)17(7-8-18)13-12(14)11(6-3)15-9-16-13/h9-10,18H,4-8H2,1-3H3.
What are the key properties of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-pentan-3-ylamino]ethanol?
2-[(6-ethyl-5-fluoropyrimidin-4-yl)-pentan-3-ylamino]ethanol has a molecular weight of 255.34 g/mol, XLogP of 2.17, 7 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)-pentan-3-ylamino]ethanol is sourced from PubChem (CID 114045772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).