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

C25H26ClF7N8 — CID 90975534

IUPAC6-[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
SMILESCC1CN(c2ncccc2Cl)CCN1CCCc1nc(N)nc(Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)n1
InChIInChI=1S/C25H26ClF7N8/c1-15-14-41(20-18(26)4-2-10-35-20)13-12-40(15)11-3-5-19-37-21(34)39-22(38-19)36-17-8-6-16(7-9-17)23(27,24(28,29)30)25(31,32)33/h2,4,6-10,15H,3,5,11-14H2,1H3,(H3,34,36,37,38,39)
InChIKeyPWNOVADYNIAXRX-UHFFFAOYSA-N
MW606.98 g/mol
LogP5.68
Rot. Bonds8

About 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

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 (PubChem CID 90975534) has the molecular formula C25H26ClF7N8 and a molecular weight of 606.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID90975534
Molecular FormulaC25H26ClF7N8
Molecular Weight606.98 g/mol
Exact Mass606.19
IUPAC Name6-[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
SMILESCC1CN(c2ncccc2Cl)CCN1CCCc1nc(N)nc(Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)n1
InChIInChI=1S/C25H26ClF7N8/c1-15-14-41(20-18(26)4-2-10-35-20)13-12-40(15)11-3-5-19-37-21(34)39-22(38-19)36-17-8-6-16(7-9-17)23(27,24(28,29)30)25(31,32)33/h2,4,6-10,15H,3,5,11-14H2,1H3,(H3,34,36,37,38,39)
InChIKeyPWNOVADYNIAXRX-UHFFFAOYSA-N
XLogP5.68
TPSA96.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.98
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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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-tert-butylphenyl)-4-chloro-6-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine
CID 72989677
4-(3-chloro-2-pyridinyl)-1,2-dimethylpiperazine
CID 71195511
(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
N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63620774
2-methyl-4-(3-nitro-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperazine
CID 133431499
6-[(2,6-dimethyl-1,4-diazepan-1-yl)methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 167847537
7-(3-chloro-2-pyridinyl)-2-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 12004364
[2-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 63605164
(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carbothioamide
CID 10172819

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CN(c2ncccc2Cl)CCN1CCCc1nc(N)nc(Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)n1.
What is the InChIKey of 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?
The InChIKey is PWNOVADYNIAXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClF7N8/c1-15-14-41(20-18(26)4-2-10-35-20)13-12-40(15)11-3-5-19-37-21(34)39-22(38-19)36-17-8-6-16(7-9-17)23(27,24(28,29)30)25(31,32)33/h2,4,6-10,15H,3,5,11-14H2,1H3,(H3,34,36,37,38,39).
What are the key properties of 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?
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 has a molecular weight of 606.98 g/mol, XLogP of 5.68, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90975534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).