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

C10H12F3N3O2 — CID 64586044

IUPAC2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid
SMILESCC(C)N(CC(=O)O)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O2/c1-6(2)16(5-8(17)18)9-14-4-3-7(15-9)10(11,12)13/h3-4,6H,5H2,1-2H3,(H,17,18)
InChIKeyVVHDCSRKNXYTKW-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.79
Rot. Bonds4

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

2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid (PubChem CID 64586044) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid
PubChem CID64586044
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid
SMILESCC(C)N(CC(=O)O)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O2/c1-6(2)16(5-8(17)18)9-14-4-3-7(15-9)10(11,12)13/h3-4,6H,5H2,1-2H3,(H,17,18)
InChIKeyVVHDCSRKNXYTKW-UHFFFAOYSA-N
XLogP1.79
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid
CID 64586234
2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
CID 64585291
N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 64586830
2-[prop-2-ynyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid
CID 79275178
N,N-dimethyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 10750222
3-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butanoic acid
CID 81065475
4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 64584680
N,N-di(propan-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 75799947
2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]acetic acid
CID 83841313
ethyl 2-[propyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetate
CID 64584141
3-[(4-ethoxypyrimidin-2-yl)-propan-2-ylamino]propanoic acid
CID 112635997
2-methyl-1-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol
CID 78964681

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid?
The IUPAC name of 2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid (CID 64586044) is 2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid is CC(C)N(CC(=O)O)c1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid?
The InChIKey is VVHDCSRKNXYTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-6(2)16(5-8(17)18)9-14-4-3-7(15-9)10(11,12)13/h3-4,6H,5H2,1-2H3,(H,17,18).
What are the key properties of 2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid?
2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid has a molecular weight of 263.22 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid is sourced from PubChem (CID 64586044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).