4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine

C12H18F3N3 — CID 102609044

IUPAC4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine
SMILESCC(C)C(C)(C)CNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3/c1-8(2)11(3,4)7-17-10-16-6-5-9(18-10)12(13,14)15/h5-6,8H,7H2,1-4H3,(H,16,17,18)
InChIKeyWXWCFXZICHJNJB-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.59
Rot. Bonds4

About 4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine

4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine (PubChem CID 102609044) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine
PubChem CID102609044
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine
SMILESCC(C)C(C)(C)CNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3/c1-8(2)11(3,4)7-17-10-16-6-5-9(18-10)12(13,14)15/h5-6,8H,7H2,1-4H3,(H,16,17,18)
InChIKeyWXWCFXZICHJNJB-UHFFFAOYSA-N
XLogP3.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 115586276
N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
2,2-diethyl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
CID 106251652
N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 60732408
(2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 95620017
2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 56786340
4,4-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,2-diamine
CID 107159109
3-ethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,2-diamine
CID 106287283
3-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butanoic acid
CID 81065475
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 79363335
N-(4-chlorobutyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 106845038
2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 104683281

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine?
The IUPAC name of 4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine (CID 102609044) is 4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine?
The canonical SMILES for 4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine is CC(C)C(C)(C)CNc1nccc(C(F)(F)F)n1.
What is the InChIKey of 4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine?
The InChIKey is WXWCFXZICHJNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-8(2)11(3,4)7-17-10-16-6-5-9(18-10)12(13,14)15/h5-6,8H,7H2,1-4H3,(H,16,17,18).
What are the key properties of 4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine?
4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine has a molecular weight of 261.29 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 102609044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).