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

C6H9FN4O — CID 3776070

IUPAC2-[(2-amino-6-fluoropyrimidin-4-yl)amino]ethanol
SMILESNc1nc(F)cc(NCCO)n1
InChIInChI=1S/C6H9FN4O/c7-4-3-5(9-1-2-12)11-6(8)10-4/h3,12H,1-2H2,(H3,8,9,10,11)
InChIKeyJKFRRQYLWXFBHR-UHFFFAOYSA-N
MW172.16 g/mol
LogP-0.40
Rot. Bonds3

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

2-[(2-amino-6-fluoropyrimidin-4-yl)amino]ethanol (PubChem CID 3776070) has the molecular formula C6H9FN4O and a molecular weight of 172.16 g/mol. Its IUPAC name is 2-[(2-amino-6-fluoropyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-6-fluoropyrimidin-4-yl)amino]ethanol
PubChem CID3776070
Molecular FormulaC6H9FN4O
Molecular Weight172.16 g/mol
Exact Mass172.08
IUPAC Name2-[(2-amino-6-fluoropyrimidin-4-yl)amino]ethanol
SMILESNc1nc(F)cc(NCCO)n1
InChIInChI=1S/C6H9FN4O/c7-4-3-5(9-1-2-12)11-6(8)10-4/h3,12H,1-2H2,(H3,8,9,10,11)
InChIKeyJKFRRQYLWXFBHR-UHFFFAOYSA-N
XLogP-0.40
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-Chloro-4-pyrimidinyl)amino]ethanol
CID 1840857
(R)-2-(4-amino-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidin-2-ylamino)ethanol
CID 54585776
(R)-2-(2-amino-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidin-4-ylamino)ethanol
CID 54586765
2-(2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-ylamino)ethanol
CID 54587789
2-((2-Amino-6-chloropyrimidin-4-yl)amino)ethanol
CID 235898
2-(4-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamino)ethanol
CID 54585778
N4-butyl-6-fluoropyrimidine-2,4-diamine
CID 2780461
3-[(2-Amino-6-chloro-pyrimidin-4-yl)amino]propan-1-ol
CID 500506
2-((6-Chloro-2-methyl-4-pyrimidinyl)amino)-1-ethanol
CID 25918906
N4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine
CID 80767642
2-[(2,6-Difluoropyrimidin-4-yl)amino]acetic acid
CID 589042
6-fluoro-N,N'-dimethylpyrimidine-2,4-diamine
CID 676433

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-fluoropyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(2-amino-6-fluoropyrimidin-4-yl)amino]ethanol (CID 3776070) is 2-[(2-amino-6-fluoropyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(2-amino-6-fluoropyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(2-amino-6-fluoropyrimidin-4-yl)amino]ethanol is Nc1nc(F)cc(NCCO)n1.
What is the InChIKey of 2-[(2-amino-6-fluoropyrimidin-4-yl)amino]ethanol?
The InChIKey is JKFRRQYLWXFBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4O/c7-4-3-5(9-1-2-12)11-6(8)10-4/h3,12H,1-2H2,(H3,8,9,10,11).
What are the key properties of 2-[(2-amino-6-fluoropyrimidin-4-yl)amino]ethanol?
2-[(2-amino-6-fluoropyrimidin-4-yl)amino]ethanol has a molecular weight of 172.16 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-fluoropyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 3776070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).