N,4-dimethyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine

C19H23F3N4 — CID 171998410

IUPACN,4-dimethyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
SMILESCc1ccnc(N(C)C2CCCN(Cc3ccccc3C(F)(F)F)C2)n1
InChIInChI=1S/C19H23F3N4/c1-14-9-10-23-18(24-14)25(2)16-7-5-11-26(13-16)12-15-6-3-4-8-17(15)19(20,21)22/h3-4,6,8-10,16H,5,7,11-13H2,1-2H3
InChIKeyJLTHDVXJVADBRD-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.90
Rot. Bonds4

About N,4-dimethyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine

N,4-dimethyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine (PubChem CID 171998410) has the molecular formula C19H23F3N4 and a molecular weight of 364.42 g/mol. Its IUPAC name is N,4-dimethyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
PubChem CID171998410
Molecular FormulaC19H23F3N4
Molecular Weight364.42 g/mol
Exact Mass364.19
IUPAC NameN,4-dimethyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
SMILESCc1ccnc(N(C)C2CCCN(Cc3ccccc3C(F)(F)F)C2)n1
InChIInChI=1S/C19H23F3N4/c1-14-9-10-23-18(24-14)25(2)16-7-5-11-26(13-16)12-15-6-3-4-8-17(15)19(20,21)22/h3-4,6,8-10,16H,5,7,11-13H2,1-2H3
InChIKeyJLTHDVXJVADBRD-UHFFFAOYSA-N
XLogP3.90
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 171998484
2-N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 171998805
2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 175651595
N-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 172893331
N,4-dimethyl-N-[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 171995291
N-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 172882405
N,N-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 90269557
N,4-dimethyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171996048
N-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 171995951
2-N,4-N,4-N-trimethyl-2-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 171998751
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 119909959
5-methyl-7-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 118471548

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine (CID 171998410) is N,4-dimethyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine is Cc1ccnc(N(C)C2CCCN(Cc3ccccc3C(F)(F)F)C2)n1.
What is the InChIKey of N,4-dimethyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is JLTHDVXJVADBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4/c1-14-9-10-23-18(24-14)25(2)16-7-5-11-26(13-16)12-15-6-3-4-8-17(15)19(20,21)22/h3-4,6,8-10,16H,5,7,11-13H2,1-2H3.
What are the key properties of N,4-dimethyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine?
N,4-dimethyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 364.42 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 171998410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).