[2-(diethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate

C12H20N4O2 — CID 54163373

IUPAC[2-(diethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate
SMILESCCN(CC)c1nc(C)cc(OC(=O)N(C)C)n1
InChIInChI=1S/C12H20N4O2/c1-6-16(7-2)11-13-9(3)8-10(14-11)18-12(17)15(4)5/h8H,6-7H2,1-5H3
InChIKeyOPYWWMLAMDZTER-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.69
Rot. Bonds4

About [2-(diethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate

[2-(diethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate (PubChem CID 54163373) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is [2-(diethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-(diethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate
PubChem CID54163373
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name[2-(diethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate
SMILESCCN(CC)c1nc(C)cc(OC(=O)N(C)C)n1
InChIInChI=1S/C12H20N4O2/c1-6-16(7-2)11-13-9(3)8-10(14-11)18-12(17)15(4)5/h8H,6-7H2,1-5H3
InChIKeyOPYWWMLAMDZTER-UHFFFAOYSA-N
XLogP1.69
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate?
The IUPAC name of [2-(diethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate (CID 54163373) is [2-(diethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [2-(diethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate?
The canonical SMILES for [2-(diethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate is CCN(CC)c1nc(C)cc(OC(=O)N(C)C)n1.
What is the InChIKey of [2-(diethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate?
The InChIKey is OPYWWMLAMDZTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-6-16(7-2)11-13-9(3)8-10(14-11)18-12(17)15(4)5/h8H,6-7H2,1-5H3.
What are the key properties of [2-(diethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate?
[2-(diethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate has a molecular weight of 252.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 54163373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).