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

C8H13FN4O2 — CID 80827312

IUPAC2-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol
SMILESNc1ncc(F)c(NCCOCCO)n1
InChIInChI=1S/C8H13FN4O2/c9-6-5-12-8(10)13-7(6)11-1-3-15-4-2-14/h5,14H,1-4H2,(H3,10,11,12,13)
InChIKeyJYUZVBLKZPGNFY-UHFFFAOYSA-N
MW216.22 g/mol
LogP-0.38
Rot. Bonds6

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

2-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol (PubChem CID 80827312) has the molecular formula C8H13FN4O2 and a molecular weight of 216.22 g/mol. Its IUPAC name is 2-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol
PubChem CID80827312
Molecular FormulaC8H13FN4O2
Molecular Weight216.22 g/mol
Exact Mass216.10
IUPAC Name2-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol
SMILESNc1ncc(F)c(NCCOCCO)n1
InChIInChI=1S/C8H13FN4O2/c9-6-5-12-8(10)13-7(6)11-1-3-15-4-2-14/h5,14H,1-4H2,(H3,10,11,12,13)
InChIKeyJYUZVBLKZPGNFY-UHFFFAOYSA-N
XLogP-0.38
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311745
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide
CID 80787091
4-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]phenol
CID 80798211
5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine
CID 80832624
4-N-[3-(diethylamino)propyl]-5-fluoropyrimidine-2,4-diamine
CID 80777648
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80785277
4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine
CID 115409525
4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine
CID 80816916
5-fluoro-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828101
2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258368
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 104506759
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106343575

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol (CID 80827312) is 2-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol is Nc1ncc(F)c(NCCOCCO)n1.
What is the InChIKey of 2-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol?
The InChIKey is JYUZVBLKZPGNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4O2/c9-6-5-12-8(10)13-7(6)11-1-3-15-4-2-14/h5,14H,1-4H2,(H3,10,11,12,13).
What are the key properties of 2-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol?
2-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol has a molecular weight of 216.22 g/mol, XLogP of -0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 80827312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).