2-(3,3-dimethylbutyl)-4-(trifluoromethyl)pyrimidin-5-amine

C11H16F3N3 — CID 114212277

IUPAC2-(3,3-dimethylbutyl)-4-(trifluoromethyl)pyrimidin-5-amine
SMILESCC(C)(C)CCc1ncc(N)c(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3/c1-10(2,3)5-4-8-16-6-7(15)9(17-8)11(12,13)14/h6H,4-5,15H2,1-3H3
InChIKeyMNDMLSOJELEOGS-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.06
Rot. Bonds2

About 2-(3,3-dimethylbutyl)-4-(trifluoromethyl)pyrimidin-5-amine

2-(3,3-dimethylbutyl)-4-(trifluoromethyl)pyrimidin-5-amine (PubChem CID 114212277) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-4-(trifluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-4-(trifluoromethyl)pyrimidin-5-amine
PubChem CID114212277
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name2-(3,3-dimethylbutyl)-4-(trifluoromethyl)pyrimidin-5-amine
SMILESCC(C)(C)CCc1ncc(N)c(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3/c1-10(2,3)5-4-8-16-6-7(15)9(17-8)11(12,13)14/h6H,4-5,15H2,1-3H3
InChIKeyMNDMLSOJELEOGS-UHFFFAOYSA-N
XLogP3.06
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine
CID 114207085
2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-amine
CID 130494265
[2-ethyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
CID 82506813
2-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine
CID 114207086
2-(2-methylphenyl)-4-(trifluoromethyl)pyrimidin-5-amine
CID 114207088
[2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
CID 114205970
4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-amine
CID 84663024
2-(3,3-dimethylbutyl)-6-methylpyrimidin-4-amine
CID 130484072
5-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 135325495
2-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine
CID 174763110
6-ethoxy-2-(trifluoromethyl)pyridin-3-amine
CID 130058116
6-(3,3-dimethylbutyl)pyrazin-2-amine
CID 59238418

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-4-(trifluoromethyl)pyrimidin-5-amine?
The IUPAC name of 2-(3,3-dimethylbutyl)-4-(trifluoromethyl)pyrimidin-5-amine (CID 114212277) is 2-(3,3-dimethylbutyl)-4-(trifluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-4-(trifluoromethyl)pyrimidin-5-amine?
The canonical SMILES for 2-(3,3-dimethylbutyl)-4-(trifluoromethyl)pyrimidin-5-amine is CC(C)(C)CCc1ncc(N)c(C(F)(F)F)n1.
What is the InChIKey of 2-(3,3-dimethylbutyl)-4-(trifluoromethyl)pyrimidin-5-amine?
The InChIKey is MNDMLSOJELEOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-10(2,3)5-4-8-16-6-7(15)9(17-8)11(12,13)14/h6H,4-5,15H2,1-3H3.
What are the key properties of 2-(3,3-dimethylbutyl)-4-(trifluoromethyl)pyrimidin-5-amine?
2-(3,3-dimethylbutyl)-4-(trifluoromethyl)pyrimidin-5-amine has a molecular weight of 247.26 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-4-(trifluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 114212277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).