4-tert-butyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine

C9H16F3N3 — CID 101338774

IUPAC4-tert-butyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC(C)(C)C1CC(C(F)(F)F)NC(N)=N1
InChIInChI=1S/C9H16F3N3/c1-8(2,3)5-4-6(9(10,11)12)15-7(13)14-5/h5-6H,4H2,1-3H3,(H3,13,14,15)
InChIKeyNAOXSYFNWIRUMP-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.64
Rot. Bonds

About 4-tert-butyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine

4-tert-butyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 101338774) has the molecular formula C9H16F3N3 and a molecular weight of 223.24 g/mol. Its IUPAC name is 4-tert-butyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID101338774
Molecular FormulaC9H16F3N3
Molecular Weight223.24 g/mol
Exact Mass223.13
IUPAC Name4-tert-butyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC(C)(C)C1CC(C(F)(F)F)NC(N)=N1
InChIInChI=1S/C9H16F3N3/c1-8(2,3)5-4-6(9(10,11)12)15-7(13)14-5/h5-6H,4H2,1-3H3,(H3,13,14,15)
InChIKeyNAOXSYFNWIRUMP-UHFFFAOYSA-N
XLogP1.64
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Amino-3,3-difluorocyclohexyl)-2-ethylguanidine
CID 163509412
2-Cyclohexyl-1-(4,4,4-trifluorobutan-2-yl)guanidine
CID 105936307
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109468807
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(5,5,5-trifluoropentyl)guanidine
CID 109469267
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109469512
1-(2,2-Difluoroethyl)-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109469866
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-(5,5,5-trifluoropentyl)guanidine
CID 109470516
1-(5,5-Dimethylhexyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471360
1-(5,5-Dimethylhexyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109471361
2-(5,5-Dimethylhexyl)-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471906
2-(5,5-Dimethylhexyl)-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109471907
1-Ethyl-2-[(1-methylcyclopentyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109473199

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of 4-tert-butyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 101338774) is 4-tert-butyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for 4-tert-butyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine is CC(C)(C)C1CC(C(F)(F)F)NC(N)=N1.
What is the InChIKey of 4-tert-butyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is NAOXSYFNWIRUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3/c1-8(2,3)5-4-6(9(10,11)12)15-7(13)14-5/h5-6H,4H2,1-3H3,(H3,13,14,15).
What are the key properties of 4-tert-butyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
4-tert-butyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 223.24 g/mol, XLogP of 1.64, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 101338774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).