N-(4-tert-butyl-2-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine

C16H18F3N3 — CID 138636966

IUPACN-(4-tert-butyl-2-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(C(C)(C)C)ccc1Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C16H18F3N3/c1-10-9-11(15(2,3)4)5-6-12(10)21-14-20-8-7-13(22-14)16(17,18)19/h5-9H,1-4H3,(H,20,21,22)
InChIKeyQOWZIPULRZUIQH-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.84
Rot. Bonds2

About N-(4-tert-butyl-2-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(4-tert-butyl-2-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 138636966) has the molecular formula C16H18F3N3 and a molecular weight of 309.34 g/mol. Its IUPAC name is N-(4-tert-butyl-2-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-tert-butyl-2-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID138636966
Molecular FormulaC16H18F3N3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC NameN-(4-tert-butyl-2-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(C(C)(C)C)ccc1Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C16H18F3N3/c1-10-9-11(15(2,3)4)5-6-12(10)21-14-20-8-7-13(22-14)16(17,18)19/h5-9H,1-4H3,(H,20,21,22)
InChIKeyQOWZIPULRZUIQH-UHFFFAOYSA-N
XLogP4.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-chlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 142777197
N-(2,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 154454877
3-methoxy-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]benzonitrile
CID 150120658
N-(2-azido-5-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 118271642
N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
N-(3-methyl-5-pyrimidin-2-ylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 72709145
4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine
CID 102609044
2-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine
CID 36574929
(1S)-1-cyclohexyl-1-[4-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]ethanol
CID 130421829
N-(4-bromo-3-methoxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 133340861
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 63091595
N-[3-(2-aminopyrimidin-5-yl)-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 72709972

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(4-tert-butyl-2-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 138636966) is N-(4-tert-butyl-2-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-tert-butyl-2-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(4-tert-butyl-2-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine is Cc1cc(C(C)(C)C)ccc1Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-(4-tert-butyl-2-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is QOWZIPULRZUIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3/c1-10-9-11(15(2,3)4)5-6-12(10)21-14-20-8-7-13(22-14)16(17,18)19/h5-9H,1-4H3,(H,20,21,22).
What are the key properties of N-(4-tert-butyl-2-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(4-tert-butyl-2-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 309.34 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 138636966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).