N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

C12H18F3N5 — CID 63938482

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCN1CCN(C)C(CNc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H18F3N5/c1-19-5-6-20(2)9(8-19)7-17-11-16-4-3-10(18-11)12(13,14)15/h3-4,9H,5-8H2,1-2H3,(H,16,17,18)
InChIKeyNKKWKJISQLXBGI-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.15
Rot. Bonds3

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 63938482) has the molecular formula C12H18F3N5 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID63938482
Molecular FormulaC12H18F3N5
Molecular Weight289.30 g/mol
Exact Mass289.15
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCN1CCN(C)C(CNc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H18F3N5/c1-19-5-6-20(2)9(8-19)7-17-11-16-4-3-10(18-11)12(13,14)15/h3-4,9H,5-8H2,1-2H3,(H,16,17,18)
InChIKeyNKKWKJISQLXBGI-UHFFFAOYSA-N
XLogP1.15
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95334464
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95160947
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975078
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133486766
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 63899169
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 79363335
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103989959
4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine
CID 129002408
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133277590
N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95305722
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83182057
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-amine
CID 113234222

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 63938482) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is CN1CCN(C)C(CNc2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is NKKWKJISQLXBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5/c1-19-5-6-20(2)9(8-19)7-17-11-16-4-3-10(18-11)12(13,14)15/h3-4,9H,5-8H2,1-2H3,(H,16,17,18).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 289.30 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 63938482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).