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

C15H19FN4O — CID 80798327

IUPAC2-[benzyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol
SMILESCCNc1ncc(F)c(N(CCO)Cc2ccccc2)n1
InChIInChI=1S/C15H19FN4O/c1-2-17-15-18-10-13(16)14(19-15)20(8-9-21)11-12-6-4-3-5-7-12/h3-7,10,21H,2,8-9,11H2,1H3,(H,17,18,19)
InChIKeyNWYPBRQPLHCBPP-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.05
Rot. Bonds7

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

2-[benzyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol (PubChem CID 80798327) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[benzyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol
PubChem CID80798327
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name2-[benzyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol
SMILESCCNc1ncc(F)c(N(CCO)Cc2ccccc2)n1
InChIInChI=1S/C15H19FN4O/c1-2-17-15-18-10-13(16)14(19-15)20(8-9-21)11-12-6-4-3-5-7-12/h3-7,10,21H,2,8-9,11H2,1H3,(H,17,18,19)
InChIKeyNWYPBRQPLHCBPP-UHFFFAOYSA-N
XLogP2.05
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80810772
4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80753808
2-[cyclopropyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol
CID 80811535
2-[benzyl-(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80908270
2-[ethyl-(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80898789
2-[benzyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol
CID 103879721
2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide
CID 80805960
4-N-(cyclopropylmethyl)-2-N-ethyl-5-fluoro-4-N-propylpyrimidine-2,4-diamine
CID 80798941
2-N-ethyl-5-fluoro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80781911
N-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine
CID 80887336
5-fluoro-2-hydrazinyl-N-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 80931324
4-N-[1-(3-chlorophenyl)ethyl]-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80809659

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[benzyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol (CID 80798327) is 2-[benzyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol is CCNc1ncc(F)c(N(CCO)Cc2ccccc2)n1.
What is the InChIKey of 2-[benzyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol?
The InChIKey is NWYPBRQPLHCBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-2-17-15-18-10-13(16)14(19-15)20(8-9-21)11-12-6-4-3-5-7-12/h3-7,10,21H,2,8-9,11H2,1H3,(H,17,18,19).
What are the key properties of 2-[benzyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol?
2-[benzyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol has a molecular weight of 290.34 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 80798327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).