2-[[4-methyl-2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]acetic acid

C9H8F3N3O3 — CID 110836376

IUPAC2-[[4-methyl-2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]acetic acid
SMILESCc1nc(C(F)(F)F)ncc1C(=O)NCC(=O)O
InChIInChI=1S/C9H8F3N3O3/c1-4-5(7(18)13-3-6(16)17)2-14-8(15-4)9(10,11)12/h2H,3H2,1H3,(H,13,18)(H,16,17)
InChIKeyHNBNUOMKZRYJGE-UHFFFAOYSA-N
MW263.17 g/mol
LogP0.62
Rot. Bonds3

About 2-[[4-methyl-2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]acetic acid

2-[[4-methyl-2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]acetic acid (PubChem CID 110836376) has the molecular formula C9H8F3N3O3 and a molecular weight of 263.17 g/mol. Its IUPAC name is 2-[[4-methyl-2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-methyl-2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]acetic acid
PubChem CID110836376
Molecular FormulaC9H8F3N3O3
Molecular Weight263.17 g/mol
Exact Mass263.05
IUPAC Name2-[[4-methyl-2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]acetic acid
SMILESCc1nc(C(F)(F)F)ncc1C(=O)NCC(=O)O
InChIInChI=1S/C9H8F3N3O3/c1-4-5(7(18)13-3-6(16)17)2-14-8(15-4)9(10,11)12/h2H,3H2,1H3,(H,13,18)(H,16,17)
InChIKeyHNBNUOMKZRYJGE-UHFFFAOYSA-N
XLogP0.62
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-methyl-2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]acetic acid (CID 110836376) is 2-[[4-methyl-2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-methyl-2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-methyl-2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]acetic acid is Cc1nc(C(F)(F)F)ncc1C(=O)NCC(=O)O.
What is the InChIKey of 2-[[4-methyl-2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]acetic acid?
The InChIKey is HNBNUOMKZRYJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O3/c1-4-5(7(18)13-3-6(16)17)2-14-8(15-4)9(10,11)12/h2H,3H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-[[4-methyl-2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]acetic acid?
2-[[4-methyl-2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]acetic acid has a molecular weight of 263.17 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 110836376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).