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

C9H12FN3O2 — CID 144504550

IUPAC2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid
SMILESCc1ncc(F)c(NC(C)(C)C(=O)O)n1
InChIInChI=1S/C9H12FN3O2/c1-5-11-4-6(10)7(12-5)13-9(2,3)8(14)15/h4H,1-3H3,(H,14,15)(H,11,12,13)
InChIKeyBECFVMMDXSCIGW-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.20
Rot. Bonds3

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

2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid (PubChem CID 144504550) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid
PubChem CID144504550
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC Name2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid
SMILESCc1ncc(F)c(NC(C)(C)C(=O)O)n1
InChIInChI=1S/C9H12FN3O2/c1-5-11-4-6(10)7(12-5)13-9(2,3)8(14)15/h4H,1-3H3,(H,14,15)(H,11,12,13)
InChIKeyBECFVMMDXSCIGW-UHFFFAOYSA-N
XLogP1.20
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-5-fluoro-4-pyrimidyl)glycine
CID 91690988
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
2-[(5-Fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 89369792
3-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-one
CID 89516919

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid (CID 144504550) is 2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid is Cc1ncc(F)c(NC(C)(C)C(=O)O)n1.
What is the InChIKey of 2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid?
The InChIKey is BECFVMMDXSCIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2/c1-5-11-4-6(10)7(12-5)13-9(2,3)8(14)15/h4H,1-3H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid?
2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid has a molecular weight of 213.21 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 144504550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).