methyl N-[5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl]-N-methylsulfamate

C13H24N4O3S — CID 175212450

IUPACmethyl N-[5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl]-N-methylsulfamate
SMILESCCCCc1c(C)nc(NCC)nc1N(C)S(=O)(=O)OC
InChIInChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)17(4)21(18,19)20-5/h6-9H2,1-5H3,(H,14,15,16)
InChIKeyHZAXAOAJVWXCPL-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.89
Rot. Bonds8

About methyl N-[5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl]-N-methylsulfamate

methyl N-[5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl]-N-methylsulfamate (PubChem CID 175212450) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is methyl N-[5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl]-N-methylsulfamate.

Molecular Properties

Compound Namemethyl N-[5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl]-N-methylsulfamate
PubChem CID175212450
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Namemethyl N-[5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl]-N-methylsulfamate
SMILESCCCCc1c(C)nc(NCC)nc1N(C)S(=O)(=O)OC
InChIInChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)17(4)21(18,19)20-5/h6-9H2,1-5H3,(H,14,15,16)
InChIKeyHZAXAOAJVWXCPL-UHFFFAOYSA-N
XLogP1.89
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl]-N-methylsulfamate?
The IUPAC name of methyl N-[5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl]-N-methylsulfamate (CID 175212450) is methyl N-[5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl]-N-methylsulfamate.
What is the SMILES notation for methyl N-[5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl]-N-methylsulfamate?
The canonical SMILES for methyl N-[5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl]-N-methylsulfamate is CCCCc1c(C)nc(NCC)nc1N(C)S(=O)(=O)OC.
What is the InChIKey of methyl N-[5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl]-N-methylsulfamate?
The InChIKey is HZAXAOAJVWXCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)17(4)21(18,19)20-5/h6-9H2,1-5H3,(H,14,15,16).
What are the key properties of methyl N-[5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl]-N-methylsulfamate?
methyl N-[5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl]-N-methylsulfamate has a molecular weight of 316.43 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl]-N-methylsulfamate is sourced from PubChem (CID 175212450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).