6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-4-N,4-N-dipropyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

C26H32ClF3N8 — CID 11504915

IUPAC6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-4-N,4-N-dipropyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCCCN(CCC)c1nc(Nc2ccc(C(F)(F)F)cc2)nc(N2CCN(c3ncccc3Cl)C[C@H]2C)n1
InChIInChI=1S/C26H32ClF3N8/c1-4-13-36(14-5-2)24-33-23(32-20-10-8-19(9-11-20)26(28,29)30)34-25(35-24)38-16-15-37(17-18(38)3)22-21(27)7-6-12-31-22/h6-12,18H,4-5,13-17H2,1-3H3,(H,32,33,34,35)/t18-/m1/s1
InChIKeyJHUKJCHMTQYIFW-GOSISDBHSA-N
MW549.05 g/mol
LogP6.02
Rot. Bonds9

About 6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-4-N,4-N-dipropyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-4-N,4-N-dipropyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 11504915) has the molecular formula C26H32ClF3N8 and a molecular weight of 549.05 g/mol. Its IUPAC name is 6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-4-N,4-N-dipropyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-4-N,4-N-dipropyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID11504915
Molecular FormulaC26H32ClF3N8
Molecular Weight549.05 g/mol
Exact Mass548.24
IUPAC Name6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-4-N,4-N-dipropyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCCCN(CCC)c1nc(Nc2ccc(C(F)(F)F)cc2)nc(N2CCN(c3ncccc3Cl)C[C@H]2C)n1
InChIInChI=1S/C26H32ClF3N8/c1-4-13-36(14-5-2)24-33-23(32-20-10-8-19(9-11-20)26(28,29)30)34-25(35-24)38-16-15-37(17-18(38)3)22-21(27)7-6-12-31-22/h6-12,18H,4-5,13-17H2,1-3H3,(H,32,33,34,35)/t18-/m1/s1
InChIKeyJHUKJCHMTQYIFW-GOSISDBHSA-N
XLogP6.02
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.05
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-4-N,4-N-dipropyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N-(4-tert-Butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2H)-carboxamide
CID 9929425
Jnj-38893777
CID 16742146
5-chloro-2-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768862
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
N-[4-(Trifluoromethyl)phenyl]-N-[1-[5-(Trifluoromethyl)pyridin-2-Yl]piperidin-4-Yl]pyridin-3-Amine
CID 71720883
N-[5-Chloro-6-Methyl-2-(Pyridin-2-Yl)pyrimidin-4-Yl]-N'-[5-(Trifluoromethyl)pyridin-2-Yl]ethane-1,2-Diamine
CID 2725966
Pyrazine-Pyridine Biheteroaryl 40
CID 5330369
Pyrazine-Pyridine Biheteroaryl 50
CID 5330378
Pyrazine-Pyridine Biheteroaryl 53
CID 5330381
Pyrazine-Pyridine Biheteroaryl 55
CID 5330383
Pyrazine-Pyridine Biheteroaryl 41
CID 5330389
Pyrazine-Pyridine Biheteroaryl 56
CID 5330390

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-4-N,4-N-dipropyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-4-N,4-N-dipropyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 11504915) is 6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-4-N,4-N-dipropyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-4-N,4-N-dipropyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-4-N,4-N-dipropyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is CCCN(CCC)c1nc(Nc2ccc(C(F)(F)F)cc2)nc(N2CCN(c3ncccc3Cl)C[C@H]2C)n1.
What is the InChIKey of 6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-4-N,4-N-dipropyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is JHUKJCHMTQYIFW-GOSISDBHSA-N. The full InChI is InChI=1S/C26H32ClF3N8/c1-4-13-36(14-5-2)24-33-23(32-20-10-8-19(9-11-20)26(28,29)30)34-25(35-24)38-16-15-37(17-18(38)3)22-21(27)7-6-12-31-22/h6-12,18H,4-5,13-17H2,1-3H3,(H,32,33,34,35)/t18-/m1/s1.
What are the key properties of 6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-4-N,4-N-dipropyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-4-N,4-N-dipropyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 549.05 g/mol, XLogP of 6.02, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-4-N,4-N-dipropyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 11504915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).