4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine

C18H23F3N6 — CID 19153784

IUPAC4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
SMILESCN1CCC(N(C)c2ncnc(Nc3ccc(C(F)(F)F)cc3)c2N)CC1
InChIInChI=1S/C18H23F3N6/c1-26-9-7-14(8-10-26)27(2)17-15(22)16(23-11-24-17)25-13-5-3-12(4-6-13)18(19,20)21/h3-6,11,14H,7-10,22H2,1-2H3,(H,23,24,25)
InChIKeyXLNZKCWKPJFXDR-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.35
Rot. Bonds4

About 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine

4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine (PubChem CID 19153784) has the molecular formula C18H23F3N6 and a molecular weight of 380.42 g/mol. Its IUPAC name is 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
PubChem CID19153784
Molecular FormulaC18H23F3N6
Molecular Weight380.42 g/mol
Exact Mass380.19
IUPAC Name4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
SMILESCN1CCC(N(C)c2ncnc(Nc3ccc(C(F)(F)F)cc3)c2N)CC1
InChIInChI=1S/C18H23F3N6/c1-26-9-7-14(8-10-26)27(2)17-15(22)16(23-11-24-17)25-13-5-3-12(4-6-13)18(19,20)21/h3-6,11,14H,7-10,22H2,1-2H3,(H,23,24,25)
InChIKeyXLNZKCWKPJFXDR-UHFFFAOYSA-N
XLogP3.35
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine with MolForge

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Related Compounds

6-N-(4-iodophenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19148960
6-N-(3-chloro-4-methylphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 22546729
1-[3-[[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547538
4-N-methyl-6-N-(4-methylpiperazin-1-yl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19144124
6-N-(2-methoxyphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19148204
N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151861
4-N-(3,5-dimethylphenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541066
4-N-methyl-6-N-[(4-methylphenyl)methyl]-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19150322
6-hydrazinyl-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine
CID 80927908
N-[4-[[6-[methyl-(1-methylpiperidin-4-yl)amino]-5-nitropyrimidin-4-yl]amino]phenyl]acetamide
CID 22538130
6-N-[(2-chlorophenyl)methyl]-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19154041
4-N-(1,3-benzodioxol-5-yl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22542206

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine (CID 19153784) is 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine is CN1CCC(N(C)c2ncnc(Nc3ccc(C(F)(F)F)cc3)c2N)CC1.
What is the InChIKey of 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The InChIKey is XLNZKCWKPJFXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N6/c1-26-9-7-14(8-10-26)27(2)17-15(22)16(23-11-24-17)25-13-5-3-12(4-6-13)18(19,20)21/h3-6,11,14H,7-10,22H2,1-2H3,(H,23,24,25).
What are the key properties of 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine has a molecular weight of 380.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19153784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).