N-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine;propanoic acid

C13H20F3N3O2 — CID 160629805

IUPACN-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine;propanoic acid
SMILESCC(C)(C)CNc1nccc(C(F)(F)F)n1.CCC(=O)O
InChIInChI=1S/C10H14F3N3.C3H6O2/c1-9(2,3)6-15-8-14-5-4-7(16-8)10(11,12)13;1-2-3(4)5/h4-5H,6H2,1-3H3,(H,14,15,16);2H2,1H3,(H,4,5)
InChIKeyRHTTYBMEYZRIRJ-UHFFFAOYSA-N
MW307.32 g/mol
LogP3.43
Rot. Bonds3

About N-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine;propanoic acid

N-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine;propanoic acid (PubChem CID 160629805) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine;propanoic acid.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine;propanoic acid
PubChem CID160629805
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC NameN-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine;propanoic acid
SMILESCC(C)(C)CNc1nccc(C(F)(F)F)n1.CCC(=O)O
InChIInChI=1S/C10H14F3N3.C3H6O2/c1-9(2,3)6-15-8-14-5-4-7(16-8)10(11,12)13;1-2-3(4)5/h4-5H,6H2,1-3H3,(H,14,15,16);2H2,1H3,(H,4,5)
InChIKeyRHTTYBMEYZRIRJ-UHFFFAOYSA-N
XLogP3.43
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine;propanoic acid?
The IUPAC name of N-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine;propanoic acid (CID 160629805) is N-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine;propanoic acid.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine;propanoic acid?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine;propanoic acid is CC(C)(C)CNc1nccc(C(F)(F)F)n1.CCC(=O)O.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine;propanoic acid?
The InChIKey is RHTTYBMEYZRIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3.C3H6O2/c1-9(2,3)6-15-8-14-5-4-7(16-8)10(11,12)13;1-2-3(4)5/h4-5H,6H2,1-3H3,(H,14,15,16);2H2,1H3,(H,4,5).
What are the key properties of N-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine;propanoic acid?
N-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine;propanoic acid has a molecular weight of 307.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine;propanoic acid is sourced from PubChem (CID 160629805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).