2-tert-butyl-N,4-dimethyl-N-[2-(methylamino)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

C14H24N4O2 — CID 137152238

IUPAC2-tert-butyl-N,4-dimethyl-N-[2-(methylamino)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCNCCN(C)C(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O
InChIInChI=1S/C14H24N4O2/c1-9-10(12(20)18(6)8-7-15-5)11(19)17-13(16-9)14(2,3)4/h15H,7-8H2,1-6H3,(H,16,17,19)
InChIKeyODBIJSIYXUPHDU-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.67
Rot. Bonds4

About 2-tert-butyl-N,4-dimethyl-N-[2-(methylamino)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-tert-butyl-N,4-dimethyl-N-[2-(methylamino)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 137152238) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-tert-butyl-N,4-dimethyl-N-[2-(methylamino)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N,4-dimethyl-N-[2-(methylamino)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID137152238
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-tert-butyl-N,4-dimethyl-N-[2-(methylamino)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCNCCN(C)C(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O
InChIInChI=1S/C14H24N4O2/c1-9-10(12(20)18(6)8-7-15-5)11(19)17-13(16-9)14(2,3)4/h15H,7-8H2,1-6H3,(H,16,17,19)
InChIKeyODBIJSIYXUPHDU-UHFFFAOYSA-N
XLogP0.67
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,4-dimethyl-N-[2-(methylamino)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-N,4-dimethyl-N-[2-(methylamino)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 137152238) is 2-tert-butyl-N,4-dimethyl-N-[2-(methylamino)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N,4-dimethyl-N-[2-(methylamino)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N,4-dimethyl-N-[2-(methylamino)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is CNCCN(C)C(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O.
What is the InChIKey of 2-tert-butyl-N,4-dimethyl-N-[2-(methylamino)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is ODBIJSIYXUPHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9-10(12(20)18(6)8-7-15-5)11(19)17-13(16-9)14(2,3)4/h15H,7-8H2,1-6H3,(H,16,17,19).
What are the key properties of 2-tert-butyl-N,4-dimethyl-N-[2-(methylamino)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-tert-butyl-N,4-dimethyl-N-[2-(methylamino)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,4-dimethyl-N-[2-(methylamino)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 137152238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).