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

C11H17FN4O — CID 80811535

IUPAC2-[cyclopropyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol
SMILESCCNc1ncc(F)c(N(CCO)C2CC2)n1
InChIInChI=1S/C11H17FN4O/c1-2-13-11-14-7-9(12)10(15-11)16(5-6-17)8-3-4-8/h7-8,17H,2-6H2,1H3,(H,13,14,15)
InChIKeyQVBUMHDOHYPHTF-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.01
Rot. Bonds6

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

2-[cyclopropyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol (PubChem CID 80811535) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol
PubChem CID80811535
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name2-[cyclopropyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol
SMILESCCNc1ncc(F)c(N(CCO)C2CC2)n1
InChIInChI=1S/C11H17FN4O/c1-2-13-11-14-7-9(12)10(15-11)16(5-6-17)8-3-4-8/h7-8,17H,2-6H2,1H3,(H,13,14,15)
InChIKeyQVBUMHDOHYPHTF-UHFFFAOYSA-N
XLogP1.01
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclohexyl-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810933
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-cyclohexylamino]ethanol
CID 80811147
2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80810772
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80774891
2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine
CID 80789928
4-N-(cyclopropylmethyl)-2-N-ethyl-5-fluoro-4-N-propylpyrimidine-2,4-diamine
CID 80798941
2-[benzyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol
CID 80798327
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 80821171
5-bromo-4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine
CID 80775626
N-cyclopentyl-N-ethyl-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80907560
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80904782
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875751

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol (CID 80811535) is 2-[cyclopropyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol is CCNc1ncc(F)c(N(CCO)C2CC2)n1.
What is the InChIKey of 2-[cyclopropyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol?
The InChIKey is QVBUMHDOHYPHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-2-13-11-14-7-9(12)10(15-11)16(5-6-17)8-3-4-8/h7-8,17H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 2-[cyclopropyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol?
2-[cyclopropyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol has a molecular weight of 240.28 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 80811535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).