N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine

C12H17F3N4 — CID 95334464

IUPACN-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCN1CCC[C@H](CNc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H17F3N4/c1-19-6-2-3-9(8-19)7-17-11-16-5-4-10(18-11)12(13,14)15/h4-5,9H,2-3,6-8H2,1H3,(H,16,17,18)/t9-/m1/s1
InChIKeyNJJQOHDKQAMFJC-SECBINFHSA-N
MW274.29 g/mol
LogP2.25
Rot. Bonds3

About N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 95334464) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID95334464
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC NameN-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCN1CCC[C@H](CNc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H17F3N4/c1-19-6-2-3-9(8-19)7-17-11-16-5-4-10(18-11)12(13,14)15/h4-5,9H,2-3,6-8H2,1H3,(H,16,17,18)/t9-/m1/s1
InChIKeyNJJQOHDKQAMFJC-SECBINFHSA-N
XLogP2.25
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 63938482
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95160947
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133486766
N-[(3-chlorocyclohexyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 106125511
4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine
CID 129002408
2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80811984
2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 80903430
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133277590
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 79363335
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 126917048
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103989959
2-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-4-carboxylic acid
CID 107553329

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 95334464) is N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is CN1CCC[C@H](CNc2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is NJJQOHDKQAMFJC-SECBINFHSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-19-6-2-3-9(8-19)7-17-11-16-5-4-10(18-11)12(13,14)15/h4-5,9H,2-3,6-8H2,1H3,(H,16,17,18)/t9-/m1/s1.
What are the key properties of N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 274.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 95334464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).