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

C26H28ClF7N8 — CID 11498196

IUPAC6-[(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
SMILESCC(C)CNc1nc(Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)nc(N2CCN(c3ncccc3Cl)C[C@H]2C)n1
InChIInChI=1S/C26H28ClF7N8/c1-15(2)13-36-21-38-22(37-18-8-6-17(7-9-18)24(28,25(29,30)31)26(32,33)34)40-23(39-21)42-12-11-41(14-16(42)3)20-19(27)5-4-10-35-20/h4-10,15-16H,11-14H2,1-3H3,(H2,36,37,38,39,40)/t16-/m1/s1
InChIKeyRGTGSSJQIRCRGG-MRXNPFEDSA-N
MW621.01 g/mol
LogP6.74
Rot. Bonds8

About 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

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 (PubChem CID 11498196) has the molecular formula C26H28ClF7N8 and a molecular weight of 621.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(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
PubChem CID11498196
Molecular FormulaC26H28ClF7N8
Molecular Weight621.01 g/mol
Exact Mass620.20
IUPAC Name6-[(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
SMILESCC(C)CNc1nc(Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)nc(N2CCN(c3ncccc3Cl)C[C@H]2C)n1
InChIInChI=1S/C26H28ClF7N8/c1-15(2)13-36-21-38-22(37-18-8-6-17(7-9-18)24(28,25(29,30)31)26(32,33)34)40-23(39-21)42-12-11-41(14-16(42)3)20-19(27)5-4-10-35-20/h4-10,15-16H,11-14H2,1-3H3,(H2,36,37,38,39,40)/t16-/m1/s1
InChIKeyRGTGSSJQIRCRGG-MRXNPFEDSA-N
XLogP6.74
TPSA82.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.01
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CNc1nc(Nc2ccc(C(F)(C(F)(F)F)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]-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?
The InChIKey is RGTGSSJQIRCRGG-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H28ClF7N8/c1-15(2)13-36-21-38-22(37-18-8-6-17(7-9-18)24(28,25(29,30)31)26(32,33)34)40-23(39-21)42-12-11-41(14-16(42)3)20-19(27)5-4-10-35-20/h4-10,15-16H,11-14H2,1-3H3,(H2,36,37,38,39,40)/t16-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 621.01 g/mol, XLogP of 6.74, 8 rotatable bonds, 2 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]-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 is sourced from PubChem (CID 11498196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).