2-N,4-N,4-N-trimethyl-2-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine

C20H26F3N5O — CID 172892048

IUPAC2-N,4-N,4-N-trimethyl-2-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(N(C)C2CCCN(Cc3cccc(OC(F)(F)F)c3)C2)n1
InChIInChI=1S/C20H26F3N5O/c1-26(2)18-9-10-24-19(25-18)27(3)16-7-5-11-28(14-16)13-15-6-4-8-17(12-15)29-20(21,22)23/h4,6,8-10,12,16H,5,7,11,13-14H2,1-3H3
InChIKeyBDXOHQHTLWQZJM-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.54
Rot. Bonds6

About 2-N,4-N,4-N-trimethyl-2-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine

2-N,4-N,4-N-trimethyl-2-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine (PubChem CID 172892048) has the molecular formula C20H26F3N5O and a molecular weight of 409.46 g/mol. Its IUPAC name is 2-N,4-N,4-N-trimethyl-2-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,4-N-trimethyl-2-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine
PubChem CID172892048
Molecular FormulaC20H26F3N5O
Molecular Weight409.46 g/mol
Exact Mass409.21
IUPAC Name2-N,4-N,4-N-trimethyl-2-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(N(C)C2CCCN(Cc3cccc(OC(F)(F)F)c3)C2)n1
InChIInChI=1S/C20H26F3N5O/c1-26(2)18-9-10-24-19(25-18)27(3)16-7-5-11-28(14-16)13-15-6-4-8-17(12-15)29-20(21,22)23/h4,6,8-10,12,16H,5,7,11,13-14H2,1-3H3
InChIKeyBDXOHQHTLWQZJM-UHFFFAOYSA-N
XLogP3.54
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,4-N,4-N-trimethyl-2-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 171998751
N-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 172882405
4-methoxy-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
CID 171998710
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171996260
3-[[3-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]piperidin-1-yl]methyl]benzonitrile
CID 172903180
2-N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 171998805
2-N,4-N,4-N-trimethyl-2-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 171995509
4-methoxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
CID 171998706
N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine
CID 171995780
2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 175651595
4-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172893269
1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 103840745

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine (CID 172892048) is 2-N,4-N,4-N-trimethyl-2-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,4-N-trimethyl-2-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,4-N-trimethyl-2-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine is CN(C)c1ccnc(N(C)C2CCCN(Cc3cccc(OC(F)(F)F)c3)C2)n1.
What is the InChIKey of 2-N,4-N,4-N-trimethyl-2-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine?
The InChIKey is BDXOHQHTLWQZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N5O/c1-26(2)18-9-10-24-19(25-18)27(3)16-7-5-11-28(14-16)13-15-6-4-8-17(12-15)29-20(21,22)23/h4,6,8-10,12,16H,5,7,11,13-14H2,1-3H3.
What are the key properties of 2-N,4-N,4-N-trimethyl-2-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine?
2-N,4-N,4-N-trimethyl-2-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine has a molecular weight of 409.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N-trimethyl-2-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 172892048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).