4-N,4-N-dimethyl-6-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine

C18H23F3N6 — CID 126877477

IUPAC4-N,4-N-dimethyl-6-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(Cc3ccc(C(F)(F)F)nc3)CC2)ncn1
InChIInChI=1S/C18H23F3N6/c1-26(2)17-9-16(23-12-24-17)25-14-5-7-27(8-6-14)11-13-3-4-15(22-10-13)18(19,20)21/h3-4,9-10,12,14H,5-8,11H2,1-2H3,(H,23,24,25)
InChIKeyWPNGCEVNQQZWNM-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.03
Rot. Bonds5

About 4-N,4-N-dimethyl-6-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine

4-N,4-N-dimethyl-6-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine (PubChem CID 126877477) has the molecular formula C18H23F3N6 and a molecular weight of 380.42 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
PubChem CID126877477
Molecular FormulaC18H23F3N6
Molecular Weight380.42 g/mol
Exact Mass380.19
IUPAC Name4-N,4-N-dimethyl-6-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(Cc3ccc(C(F)(F)F)nc3)CC2)ncn1
InChIInChI=1S/C18H23F3N6/c1-26(2)17-9-16(23-12-24-17)25-14-5-7-27(8-6-14)11-13-3-4-15(22-10-13)18(19,20)21/h3-4,9-10,12,14H,5-8,11H2,1-2H3,(H,23,24,25)
InChIKeyWPNGCEVNQQZWNM-UHFFFAOYSA-N
XLogP3.03
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N,4-N-dimethyl-6-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 172893220
[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 126888363
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126876394
4-N,4-N-dimethyl-6-N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidine-4,6-diamine
CID 171998479
4-N,4-N-dimethyl-6-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888582
4-N,4-N-dimethyl-6-N-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888630
6-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 126888483
N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 171996026
6-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 126888559
6-N-[1-[(3-bromophenyl)methyl]pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171998555
1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 175659850
6-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171998734

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-dimethyl-6-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine (CID 126877477) is 4-N,4-N-dimethyl-6-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine is CN(C)c1cc(NC2CCN(Cc3ccc(C(F)(F)F)nc3)CC2)ncn1.
What is the InChIKey of 4-N,4-N-dimethyl-6-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is WPNGCEVNQQZWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N6/c1-26(2)17-9-16(23-12-24-17)25-14-5-7-27(8-6-14)11-13-3-4-15(22-10-13)18(19,20)21/h3-4,9-10,12,14H,5-8,11H2,1-2H3,(H,23,24,25).
What are the key properties of 4-N,4-N-dimethyl-6-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
4-N,4-N-dimethyl-6-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine has a molecular weight of 380.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-6-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 126877477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).