2-[benzyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol

C15H18FN3O — CID 103879721

IUPAC2-[benzyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol
SMILESCCc1ncnc(N(CCO)Cc2ccccc2)c1F
InChIInChI=1S/C15H18FN3O/c1-2-13-14(16)15(18-11-17-13)19(8-9-20)10-12-6-4-3-5-7-12/h3-7,11,20H,2,8-10H2,1H3
InChIKeyCXWROBAZXDBNDR-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.18
Rot. Bonds6

About 2-[benzyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol

2-[benzyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol (PubChem CID 103879721) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[benzyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol
PubChem CID103879721
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-[benzyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol
SMILESCCc1ncnc(N(CCO)Cc2ccccc2)c1F
InChIInChI=1S/C15H18FN3O/c1-2-13-14(16)15(18-11-17-13)19(8-9-20)10-12-6-4-3-5-7-12/h3-7,11,20H,2,8-10H2,1H3
InChIKeyCXWROBAZXDBNDR-UHFFFAOYSA-N
XLogP2.18
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80908418
2-[benzyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 63727847
2-[(6-ethyl-5-fluoropyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 114045772
2-[benzyl(pyrido[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 110433912
N,6-diethyl-5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 133419197
2-[benzyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol
CID 80798327
3-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 114045771
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-benzylamino]ethanol
CID 80984868
N-cyclopropyl-6-ethyl-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
CID 133432221
N'-(6-ethyl-5-fluoropyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 114045824
2-[benzyl-(1-ethylimidazol-2-yl)amino]ethanol
CID 55039440
3-[benzyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 62929910

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[benzyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol (CID 103879721) is 2-[benzyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[benzyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[benzyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol is CCc1ncnc(N(CCO)Cc2ccccc2)c1F.
What is the InChIKey of 2-[benzyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol?
The InChIKey is CXWROBAZXDBNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-2-13-14(16)15(18-11-17-13)19(8-9-20)10-12-6-4-3-5-7-12/h3-7,11,20H,2,8-10H2,1H3.
What are the key properties of 2-[benzyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol?
2-[benzyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol has a molecular weight of 275.33 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 103879721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).