[2-(ethylamino)-6-methyl-5-propylpyrimidin-4-yl] N,N-dimethylsulfamate

C12H22N4O3S — CID 11449510

IUPAC[2-(ethylamino)-6-methyl-5-propylpyrimidin-4-yl] N,N-dimethylsulfamate
SMILESCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C
InChIInChI=1S/C12H22N4O3S/c1-6-8-10-9(3)14-12(13-7-2)15-11(10)19-20(17,18)16(4)5/h6-8H2,1-5H3,(H,13,14,15)
InChIKeyVDONXOWYVDWCFM-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.35
Rot. Bonds7

About [2-(ethylamino)-6-methyl-5-propylpyrimidin-4-yl] N,N-dimethylsulfamate

[2-(ethylamino)-6-methyl-5-propylpyrimidin-4-yl] N,N-dimethylsulfamate (PubChem CID 11449510) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is [2-(ethylamino)-6-methyl-5-propylpyrimidin-4-yl] N,N-dimethylsulfamate.

Molecular Properties

Compound Name[2-(ethylamino)-6-methyl-5-propylpyrimidin-4-yl] N,N-dimethylsulfamate
PubChem CID11449510
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name[2-(ethylamino)-6-methyl-5-propylpyrimidin-4-yl] N,N-dimethylsulfamate
SMILESCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C
InChIInChI=1S/C12H22N4O3S/c1-6-8-10-9(3)14-12(13-7-2)15-11(10)19-20(17,18)16(4)5/h6-8H2,1-5H3,(H,13,14,15)
InChIKeyVDONXOWYVDWCFM-UHFFFAOYSA-N
XLogP1.35
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-6-methyl-5-propylpyrimidin-4-yl] N,N-dimethylsulfamate?
The IUPAC name of [2-(ethylamino)-6-methyl-5-propylpyrimidin-4-yl] N,N-dimethylsulfamate (CID 11449510) is [2-(ethylamino)-6-methyl-5-propylpyrimidin-4-yl] N,N-dimethylsulfamate.
What is the SMILES notation for [2-(ethylamino)-6-methyl-5-propylpyrimidin-4-yl] N,N-dimethylsulfamate?
The canonical SMILES for [2-(ethylamino)-6-methyl-5-propylpyrimidin-4-yl] N,N-dimethylsulfamate is CCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C.
What is the InChIKey of [2-(ethylamino)-6-methyl-5-propylpyrimidin-4-yl] N,N-dimethylsulfamate?
The InChIKey is VDONXOWYVDWCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-6-8-10-9(3)14-12(13-7-2)15-11(10)19-20(17,18)16(4)5/h6-8H2,1-5H3,(H,13,14,15).
What are the key properties of [2-(ethylamino)-6-methyl-5-propylpyrimidin-4-yl] N,N-dimethylsulfamate?
[2-(ethylamino)-6-methyl-5-propylpyrimidin-4-yl] N,N-dimethylsulfamate has a molecular weight of 302.40 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-6-methyl-5-propylpyrimidin-4-yl] N,N-dimethylsulfamate is sourced from PubChem (CID 11449510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).