2-[(5-fluoropyrimidin-2-yl)amino]acetic acid

C6H6FN3O2 — CID 104605853

IUPAC2-[(5-fluoropyrimidin-2-yl)amino]acetic acid
SMILESO=C(O)CNc1ncc(F)cn1
InChIInChI=1S/C6H6FN3O2/c7-4-1-8-6(9-2-4)10-3-5(11)12/h1-2H,3H2,(H,11,12)(H,8,9,10)
InChIKeyUVHSKMNHBRWKEF-UHFFFAOYSA-N
MW171.13 g/mol
LogP0.11
Rot. Bonds3

About 2-[(5-fluoropyrimidin-2-yl)amino]acetic acid

2-[(5-fluoropyrimidin-2-yl)amino]acetic acid (PubChem CID 104605853) has the molecular formula C6H6FN3O2 and a molecular weight of 171.13 g/mol. Its IUPAC name is 2-[(5-fluoropyrimidin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-fluoropyrimidin-2-yl)amino]acetic acid
PubChem CID104605853
Molecular FormulaC6H6FN3O2
Molecular Weight171.13 g/mol
Exact Mass171.04
IUPAC Name2-[(5-fluoropyrimidin-2-yl)amino]acetic acid
SMILESO=C(O)CNc1ncc(F)cn1
InChIInChI=1S/C6H6FN3O2/c7-4-1-8-6(9-2-4)10-3-5(11)12/h1-2H,3H2,(H,11,12)(H,8,9,10)
InChIKeyUVHSKMNHBRWKEF-UHFFFAOYSA-N
XLogP0.11
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-phenylpyrimidin-2-yl)amino]acetic acid
CID 116975092
5-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentanoic acid
CID 104606017
2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetic acid
CID 116975091
N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
CID 112703775
1-[(5-fluoropyrimidin-2-yl)amino]propan-2-ol
CID 115749831
3-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide
CID 106097186
4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol
CID 115750155
2-[[5-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]pyrimidin-2-yl]amino]acetic acid
CID 139599589
2-[(2-methylpyrimidin-5-yl)amino]acetic acid
CID 84652587
2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]propanoic acid
CID 104605935
2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid
CID 104605858
N-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide
CID 112703121

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoropyrimidin-2-yl)amino]acetic acid?
The IUPAC name of 2-[(5-fluoropyrimidin-2-yl)amino]acetic acid (CID 104605853) is 2-[(5-fluoropyrimidin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(5-fluoropyrimidin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(5-fluoropyrimidin-2-yl)amino]acetic acid is O=C(O)CNc1ncc(F)cn1.
What is the InChIKey of 2-[(5-fluoropyrimidin-2-yl)amino]acetic acid?
The InChIKey is UVHSKMNHBRWKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN3O2/c7-4-1-8-6(9-2-4)10-3-5(11)12/h1-2H,3H2,(H,11,12)(H,8,9,10).
What are the key properties of 2-[(5-fluoropyrimidin-2-yl)amino]acetic acid?
2-[(5-fluoropyrimidin-2-yl)amino]acetic acid has a molecular weight of 171.13 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoropyrimidin-2-yl)amino]acetic acid is sourced from PubChem (CID 104605853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).