2-(cyclopropylamino)-4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]methylamino]-6-(propan-2-ylamino)-1,3,5-triazine

C19H36N8O2S — CID 22254005

IUPAC2-(cyclopropylamino)-4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]methylamino]-6-(propan-2-ylamino)-1,3,5-triazine
SMILESCC(C)Nc1nc(NCC2CCC(CNS(=O)(=O)N(C)C)CC2)nc(NC2CC2)n1
InChIInChI=1S/C19H36N8O2S/c1-13(2)22-18-24-17(25-19(26-18)23-16-9-10-16)20-11-14-5-7-15(8-6-14)12-21-30(28,29)27(3)4/h13-16,21H,5-12H2,1-4H3,(H3,20,22,23,24,25,26)
InChIKeyRHFFKHRZDRIMEM-UHFFFAOYSA-N
MW440.62 g/mol
LogP1.88
Rot. Bonds11

About 2-(cyclopropylamino)-4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]methylamino]-6-(propan-2-ylamino)-1,3,5-triazine

2-(cyclopropylamino)-4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]methylamino]-6-(propan-2-ylamino)-1,3,5-triazine (PubChem CID 22254005) has the molecular formula C19H36N8O2S and a molecular weight of 440.62 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]methylamino]-6-(propan-2-ylamino)-1,3,5-triazine.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]methylamino]-6-(propan-2-ylamino)-1,3,5-triazine
PubChem CID22254005
Molecular FormulaC19H36N8O2S
Molecular Weight440.62 g/mol
Exact Mass440.27
IUPAC Name2-(cyclopropylamino)-4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]methylamino]-6-(propan-2-ylamino)-1,3,5-triazine
SMILESCC(C)Nc1nc(NCC2CCC(CNS(=O)(=O)N(C)C)CC2)nc(NC2CC2)n1
InChIInChI=1S/C19H36N8O2S/c1-13(2)22-18-24-17(25-19(26-18)23-16-9-10-16)20-11-14-5-7-15(8-6-14)12-21-30(28,29)27(3)4/h13-16,21H,5-12H2,1-4H3,(H3,20,22,23,24,25,26)
InChIKeyRHFFKHRZDRIMEM-UHFFFAOYSA-N
XLogP1.88
TPSA124.17 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.62
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]methylamino]-6-(propan-2-ylamino)-1,3,5-triazine?
The IUPAC name of 2-(cyclopropylamino)-4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]methylamino]-6-(propan-2-ylamino)-1,3,5-triazine (CID 22254005) is 2-(cyclopropylamino)-4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]methylamino]-6-(propan-2-ylamino)-1,3,5-triazine.
What is the SMILES notation for 2-(cyclopropylamino)-4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]methylamino]-6-(propan-2-ylamino)-1,3,5-triazine?
The canonical SMILES for 2-(cyclopropylamino)-4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]methylamino]-6-(propan-2-ylamino)-1,3,5-triazine is CC(C)Nc1nc(NCC2CCC(CNS(=O)(=O)N(C)C)CC2)nc(NC2CC2)n1.
What is the InChIKey of 2-(cyclopropylamino)-4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]methylamino]-6-(propan-2-ylamino)-1,3,5-triazine?
The InChIKey is RHFFKHRZDRIMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N8O2S/c1-13(2)22-18-24-17(25-19(26-18)23-16-9-10-16)20-11-14-5-7-15(8-6-14)12-21-30(28,29)27(3)4/h13-16,21H,5-12H2,1-4H3,(H3,20,22,23,24,25,26).
What are the key properties of 2-(cyclopropylamino)-4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]methylamino]-6-(propan-2-ylamino)-1,3,5-triazine?
2-(cyclopropylamino)-4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]methylamino]-6-(propan-2-ylamino)-1,3,5-triazine has a molecular weight of 440.62 g/mol, XLogP of 1.88, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]methylamino]-6-(propan-2-ylamino)-1,3,5-triazine is sourced from PubChem (CID 22254005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).