N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

C13H18F3N3 — CID 79363335

IUPACN-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1(C)C(CNc2nccc(C(F)(F)F)n2)C1(C)C
InChIInChI=1S/C13H18F3N3/c1-11(2)8(12(11,3)4)7-18-10-17-6-5-9(19-10)13(14,15)16/h5-6,8H,7H2,1-4H3,(H,17,18,19)
InChIKeyTTXMVPWZTHSNLI-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.59
Rot. Bonds3

About N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 79363335) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID79363335
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC NameN-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1(C)C(CNc2nccc(C(F)(F)F)n2)C1(C)C
InChIInChI=1S/C13H18F3N3/c1-11(2)8(12(11,3)4)7-18-10-17-6-5-9(19-10)13(14,15)16/h5-6,8H,7H2,1-4H3,(H,17,18,19)
InChIKeyTTXMVPWZTHSNLI-UHFFFAOYSA-N
XLogP3.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine
CID 102609044
N-(4-chlorobutyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 106845038
N-pent-4-ynyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 103704497
2,2-diethyl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
CID 106251652
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 63938482
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95334464
4,4-dimethyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
CID 65118275
N'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine
CID 107323566
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133486766
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103989959
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95160947
N-[(3-chlorocyclohexyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 106125511

Frequently Asked Questions

What is the IUPAC name of N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 79363335) is N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is CC1(C)C(CNc2nccc(C(F)(F)F)n2)C1(C)C.
What is the InChIKey of N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is TTXMVPWZTHSNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-11(2)8(12(11,3)4)7-18-10-17-6-5-9(19-10)13(14,15)16/h5-6,8H,7H2,1-4H3,(H,17,18,19).
What are the key properties of N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 273.30 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 79363335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).