N-[(2,4-dichlorophenyl)methyl]-4-[methyl-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide

C20H26Cl2N6O — CID 25260809

IUPACN-[(2,4-dichlorophenyl)methyl]-4-[methyl-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide
SMILESCNc1nc(C)nc(N(C)C2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)n1
InChIInChI=1S/C20H26Cl2N6O/c1-12-25-19(23-2)27-20(26-12)28(3)16-8-5-13(6-9-16)18(29)24-11-14-4-7-15(21)10-17(14)22/h4,7,10,13,16H,5-6,8-9,11H2,1-3H3,(H,24,29)(H,23,25,26,27)
InChIKeyDISGZBFNFJSPEX-UHFFFAOYSA-N
MW437.38 g/mol
LogP3.84
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-4-[methyl-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide

N-[(2,4-dichlorophenyl)methyl]-4-[methyl-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide (PubChem CID 25260809) has the molecular formula C20H26Cl2N6O and a molecular weight of 437.38 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4-[methyl-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4-[methyl-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide
PubChem CID25260809
Molecular FormulaC20H26Cl2N6O
Molecular Weight437.38 g/mol
Exact Mass436.15
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4-[methyl-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide
SMILESCNc1nc(C)nc(N(C)C2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)n1
InChIInChI=1S/C20H26Cl2N6O/c1-12-25-19(23-2)27-20(26-12)28(3)16-8-5-13(6-9-16)18(29)24-11-14-4-7-15(21)10-17(14)22/h4,7,10,13,16H,5-6,8-9,11H2,1-3H3,(H,24,29)(H,23,25,26,27)
InChIKeyDISGZBFNFJSPEX-UHFFFAOYSA-N
XLogP3.84
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.38
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-[methyl-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-[methyl-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide (CID 25260809) is N-[(2,4-dichlorophenyl)methyl]-4-[methyl-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-4-[methyl-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4-[methyl-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide is CNc1nc(C)nc(N(C)C2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)n1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4-[methyl-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide?
The InChIKey is DISGZBFNFJSPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N6O/c1-12-25-19(23-2)27-20(26-12)28(3)16-8-5-13(6-9-16)18(29)24-11-14-4-7-15(21)10-17(14)22/h4,7,10,13,16H,5-6,8-9,11H2,1-3H3,(H,24,29)(H,23,25,26,27).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4-[methyl-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-4-[methyl-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide has a molecular weight of 437.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-4-[methyl-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 25260809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).