2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid

C8H11FN4O2 — CID 163689768

IUPAC2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid
SMILESCC(C)(Nc1nc(N)ncc1F)C(=O)O
InChIInChI=1S/C8H11FN4O2/c1-8(2,6(14)15)13-5-4(9)3-11-7(10)12-5/h3H,1-2H3,(H,14,15)(H3,10,11,12,13)
InChIKeyJRZBQYLGGONDGE-UHFFFAOYSA-N
MW214.20 g/mol
LogP0.47
Rot. Bonds3

About 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid

2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid (PubChem CID 163689768) has the molecular formula C8H11FN4O2 and a molecular weight of 214.20 g/mol. Its IUPAC name is 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid
PubChem CID163689768
Molecular FormulaC8H11FN4O2
Molecular Weight214.20 g/mol
Exact Mass214.09
IUPAC Name2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid
SMILESCC(C)(Nc1nc(N)ncc1F)C(=O)O
InChIInChI=1S/C8H11FN4O2/c1-8(2,6(14)15)13-5-4(9)3-11-7(10)12-5/h3H,1-2H3,(H,14,15)(H3,10,11,12,13)
InChIKeyJRZBQYLGGONDGE-UHFFFAOYSA-N
XLogP0.47
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-5-fluoro-4-pyrimidyl)glycine
CID 91690988
N-(2-chloro-5-bromo-4-pyrimidyl)-dl-alanine
CID 23146234
4-(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid
CID 56875085
2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]propanoic acid
CID 66485417
Methyl 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]acetate
CID 69059445
2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 79081159
2-[(4-Chloro-5-fluoropyrimidin-2-yl)amino]-2-methylpropanoic acid
CID 89350647
2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 89350712
Tert-butyl 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoate
CID 89350714
3-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 89350737
2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]butanoic acid
CID 89350738
2-[(4-Fluoropyrimidin-2-yl)amino]-2-methylpropanoic acid
CID 89350746

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid (CID 163689768) is 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid is CC(C)(Nc1nc(N)ncc1F)C(=O)O.
What is the InChIKey of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid?
The InChIKey is JRZBQYLGGONDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4O2/c1-8(2,6(14)15)13-5-4(9)3-11-7(10)12-5/h3H,1-2H3,(H,14,15)(H3,10,11,12,13).
What are the key properties of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid?
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid has a molecular weight of 214.20 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 163689768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).