(2-amino-5-butyl-6-methylpyrimidin-4-yl) N,N-dimethylsulfamate

C11H20N4O3S — CID 139598311

IUPAC(2-amino-5-butyl-6-methylpyrimidin-4-yl) N,N-dimethylsulfamate
SMILESCCCCc1c(C)nc(N)nc1OS(=O)(=O)N(C)C
InChIInChI=1S/C11H20N4O3S/c1-5-6-7-9-8(2)13-11(12)14-10(9)18-19(16,17)15(3)4/h5-7H2,1-4H3,(H2,12,13,14)
InChIKeyZZCAVGOHSIWLLC-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.90
Rot. Bonds6

About (2-amino-5-butyl-6-methylpyrimidin-4-yl) N,N-dimethylsulfamate

(2-amino-5-butyl-6-methylpyrimidin-4-yl) N,N-dimethylsulfamate (PubChem CID 139598311) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is (2-amino-5-butyl-6-methylpyrimidin-4-yl) N,N-dimethylsulfamate.

Molecular Properties

Compound Name(2-amino-5-butyl-6-methylpyrimidin-4-yl) N,N-dimethylsulfamate
PubChem CID139598311
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name(2-amino-5-butyl-6-methylpyrimidin-4-yl) N,N-dimethylsulfamate
SMILESCCCCc1c(C)nc(N)nc1OS(=O)(=O)N(C)C
InChIInChI=1S/C11H20N4O3S/c1-5-6-7-9-8(2)13-11(12)14-10(9)18-19(16,17)15(3)4/h5-7H2,1-4H3,(H2,12,13,14)
InChIKeyZZCAVGOHSIWLLC-UHFFFAOYSA-N
XLogP0.90
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-butyl-6-methylpyrimidin-4-yl) N,N-dimethylsulfamate?
The IUPAC name of (2-amino-5-butyl-6-methylpyrimidin-4-yl) N,N-dimethylsulfamate (CID 139598311) is (2-amino-5-butyl-6-methylpyrimidin-4-yl) N,N-dimethylsulfamate.
What is the SMILES notation for (2-amino-5-butyl-6-methylpyrimidin-4-yl) N,N-dimethylsulfamate?
The canonical SMILES for (2-amino-5-butyl-6-methylpyrimidin-4-yl) N,N-dimethylsulfamate is CCCCc1c(C)nc(N)nc1OS(=O)(=O)N(C)C.
What is the InChIKey of (2-amino-5-butyl-6-methylpyrimidin-4-yl) N,N-dimethylsulfamate?
The InChIKey is ZZCAVGOHSIWLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-5-6-7-9-8(2)13-11(12)14-10(9)18-19(16,17)15(3)4/h5-7H2,1-4H3,(H2,12,13,14).
What are the key properties of (2-amino-5-butyl-6-methylpyrimidin-4-yl) N,N-dimethylsulfamate?
(2-amino-5-butyl-6-methylpyrimidin-4-yl) N,N-dimethylsulfamate has a molecular weight of 288.37 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-butyl-6-methylpyrimidin-4-yl) N,N-dimethylsulfamate is sourced from PubChem (CID 139598311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).