2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

C12H16F3N3O3 — CID 115973159

IUPAC2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1cc(OC(C)C)nc(N(CC(=O)O)CC(F)(F)F)n1
InChIInChI=1S/C12H16F3N3O3/c1-7(2)21-9-4-8(3)16-11(17-9)18(5-10(19)20)6-12(13,14)15/h4,7H,5-6H2,1-3H3,(H,19,20)
InChIKeyIAHOCXZKZDLPKG-UHFFFAOYSA-N
MW307.27 g/mol
LogP2.03
Rot. Bonds6

About 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 115973159) has the molecular formula C12H16F3N3O3 and a molecular weight of 307.27 g/mol. Its IUPAC name is 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID115973159
Molecular FormulaC12H16F3N3O3
Molecular Weight307.27 g/mol
Exact Mass307.11
IUPAC Name2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1cc(OC(C)C)nc(N(CC(=O)O)CC(F)(F)F)n1
InChIInChI=1S/C12H16F3N3O3/c1-7(2)21-9-4-8(3)16-11(17-9)18(5-10(19)20)6-12(13,14)15/h4,7H,5-6H2,1-3H3,(H,19,20)
InChIKeyIAHOCXZKZDLPKG-UHFFFAOYSA-N
XLogP2.03
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

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Related Compounds

4-(4-Butoxy-6-methylpyrimidin-2-yl)morpholine
CID 1946957
4-[4-Methyl-6-(prop-2-EN-1-yloxy)pyrimidin-2-YL]morpholine
CID 6620727
4-(4-Ethoxy-6-methylpyrimidin-2-yl)morpholine
CID 1832287
4-[4-(2-Methoxyethoxy)-6-methylpyrimidin-2-yl]morpholine
CID 2730598
methyl (Z)-3-hydroxy-2-[[2-propan-2-yloxy-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]prop-2-enoate
CID 17818250
Tert-butyl 3-[6-(trifluoromethyl)pyrimidin-4-yl]oxyazetidine-1-carboxylate
CID 21906065
[4-(Fluoromethyl)-6-methoxypyrimidin-2-yl]-methylcarbamic acid
CID 54198489
4-Methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine
CID 58257072
Ethanol;4-ethoxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 67833415
Tert-butyl 4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 67954394
4-[6-[(Dimethylamino)methyl]-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 67955028
4-[6-(Trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 69378620

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 115973159) is 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1cc(OC(C)C)nc(N(CC(=O)O)CC(F)(F)F)n1.
What is the InChIKey of 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is IAHOCXZKZDLPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O3/c1-7(2)21-9-4-8(3)16-11(17-9)18(5-10(19)20)6-12(13,14)15/h4,7H,5-6H2,1-3H3,(H,19,20).
What are the key properties of 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 307.27 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 115973159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).