2-[2-methylpropyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid

C11H14F3N3O2 — CID 64586045

IUPAC2-[2-methylpropyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O2/c1-7(2)5-17(6-9(18)19)10-15-4-3-8(16-10)11(12,13)14/h3-4,7H,5-6H2,1-2H3,(H,18,19)
InChIKeyQPUXVHKFZAEVID-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.04
Rot. Bonds5

About 2-[2-methylpropyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid

2-[2-methylpropyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid (PubChem CID 64586045) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-[2-methylpropyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid
PubChem CID64586045
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name2-[2-methylpropyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O2/c1-7(2)5-17(6-9(18)19)10-15-4-3-8(16-10)11(12,13)14/h3-4,7H,5-6H2,1-2H3,(H,18,19)
InChIKeyQPUXVHKFZAEVID-UHFFFAOYSA-N
XLogP2.04
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid (CID 64586045) is 2-[2-methylpropyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid is CC(C)CN(CC(=O)O)c1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-[2-methylpropyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid?
The InChIKey is QPUXVHKFZAEVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-7(2)5-17(6-9(18)19)10-15-4-3-8(16-10)11(12,13)14/h3-4,7H,5-6H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-methylpropyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid?
2-[2-methylpropyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid has a molecular weight of 277.25 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid is sourced from PubChem (CID 64586045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).