N-(4-tert-butylphenyl)-4-chloro-6-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine

C24H27ClF3N7 — CID 72989677

IUPACN-(4-tert-butylphenyl)-4-chloro-6-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESCC1CN(c2ncccc2C(F)(F)F)CCN1c1nc(Cl)nc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C24H27ClF3N7/c1-15-14-34(19-18(24(26,27)28)6-5-11-29-19)12-13-35(15)22-32-20(25)31-21(33-22)30-17-9-7-16(8-10-17)23(2,3)4/h5-11,15H,12-14H2,1-4H3,(H,30,31,32,33)
InChIKeyAPSUQCHKZJLVJK-UHFFFAOYSA-N
MW505.98 g/mol
LogP5.70
Rot. Bonds4

About N-(4-tert-butylphenyl)-4-chloro-6-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine

N-(4-tert-butylphenyl)-4-chloro-6-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 72989677) has the molecular formula C24H27ClF3N7 and a molecular weight of 505.98 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-chloro-6-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-chloro-6-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine
PubChem CID72989677
Molecular FormulaC24H27ClF3N7
Molecular Weight505.98 g/mol
Exact Mass505.20
IUPAC NameN-(4-tert-butylphenyl)-4-chloro-6-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESCC1CN(c2ncccc2C(F)(F)F)CCN1c1nc(Cl)nc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C24H27ClF3N7/c1-15-14-34(19-18(24(26,27)28)6-5-11-29-19)12-13-35(15)22-32-20(25)31-21(33-22)30-17-9-7-16(8-10-17)23(2,3)4/h5-11,15H,12-14H2,1-4H3,(H,30,31,32,33)
InChIKeyAPSUQCHKZJLVJK-UHFFFAOYSA-N
XLogP5.70
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.98
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-2-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 11707070
6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-2-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 11498196
6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 11669890
N-(4-methylphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine
CID 11562398
2-chloro-4-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazine
CID 89165589
2-methyl-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11430396
4-(3-chloro-4-fluorophenyl)-2-(2-methylazetidin-1-yl)-6-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 142990886
(2R)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;methane
CID 160959250
2-N-(4-tert-butylphenyl)-6-chloro-4-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
CID 11154803
6-[3-[4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]propyl]-2-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-1,3,5-triazine-2,4-diamine
CID 90975534
N-methyl-4-[4-(2-methylpyrrolidin-1-yl)-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-yl]aniline
CID 142990961
2-methyl-4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-5-thiol
CID 90122385

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-chloro-6-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-4-chloro-6-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine (CID 72989677) is N-(4-tert-butylphenyl)-4-chloro-6-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-chloro-6-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-4-chloro-6-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine is CC1CN(c2ncccc2C(F)(F)F)CCN1c1nc(Cl)nc(Nc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-chloro-6-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is APSUQCHKZJLVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClF3N7/c1-15-14-34(19-18(24(26,27)28)6-5-11-29-19)12-13-35(15)22-32-20(25)31-21(33-22)30-17-9-7-16(8-10-17)23(2,3)4/h5-11,15H,12-14H2,1-4H3,(H,30,31,32,33).
What are the key properties of N-(4-tert-butylphenyl)-4-chloro-6-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine?
N-(4-tert-butylphenyl)-4-chloro-6-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 505.98 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-chloro-6-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 72989677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).