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

C20H26F3N5 — CID 171998751

IUPAC2-N,4-N,4-N-trimethyl-2-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(N(C)C2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)n1
InChIInChI=1S/C20H26F3N5/c1-26(2)18-10-11-24-19(25-18)27(3)17-5-4-12-28(14-17)13-15-6-8-16(9-7-15)20(21,22)23/h6-11,17H,4-5,12-14H2,1-3H3
InChIKeyNRINXHCEHLVBJX-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.66
Rot. Bonds5

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

2-N,4-N,4-N-trimethyl-2-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine (PubChem CID 171998751) has the molecular formula C20H26F3N5 and a molecular weight of 393.46 g/mol. Its IUPAC name is 2-N,4-N,4-N-trimethyl-2-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,4-N-trimethyl-2-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine
PubChem CID171998751
Molecular FormulaC20H26F3N5
Molecular Weight393.46 g/mol
Exact Mass393.21
IUPAC Name2-N,4-N,4-N-trimethyl-2-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(N(C)C2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)n1
InChIInChI=1S/C20H26F3N5/c1-26(2)18-10-11-24-19(25-18)27(3)17-5-4-12-28(14-17)13-15-6-8-16(9-7-15)20(21,22)23/h6-11,17H,4-5,12-14H2,1-3H3
InChIKeyNRINXHCEHLVBJX-UHFFFAOYSA-N
XLogP3.66
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
CID 171998706
2-N,4-N,4-N-trimethyl-2-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 171995509
2-N,4-N,4-N-trimethyl-2-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 172892048
4-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172893269
2-N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 171998805
4-methoxy-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
CID 171998710
N-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 172893331
N-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]-4-methoxy-N-methylpyrimidin-2-amine
CID 172893375
N,4-dimethyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
CID 171998410
2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 175651595
2-N,4-N,4-N-trimethyl-2-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 171996483
3-[[3-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]piperidin-1-yl]methyl]benzonitrile
CID 172903180

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine (CID 171998751) is 2-N,4-N,4-N-trimethyl-2-N-[1-[[4-(trifluoromethyl)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-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,4-N-trimethyl-2-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine is CN(C)c1ccnc(N(C)C2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)n1.
What is the InChIKey of 2-N,4-N,4-N-trimethyl-2-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine?
The InChIKey is NRINXHCEHLVBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N5/c1-26(2)18-10-11-24-19(25-18)27(3)17-5-4-12-28(14-17)13-15-6-8-16(9-7-15)20(21,22)23/h6-11,17H,4-5,12-14H2,1-3H3.
What are the key properties of 2-N,4-N,4-N-trimethyl-2-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine?
2-N,4-N,4-N-trimethyl-2-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine has a molecular weight of 393.46 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N-trimethyl-2-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 171998751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).