2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N-ethyl-N-methylpropanamide

C13H22N4O3 — CID 103108734

IUPAC2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C13H22N4O3/c1-6-15(3)12(19)9(2)14-8-10-7-11(18)17(5)13(20)16(10)4/h7,9,14H,6,8H2,1-5H3
InChIKeyOFJPNGLHQQHHSM-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.96
Rot. Bonds5

About 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N-ethyl-N-methylpropanamide

2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N-ethyl-N-methylpropanamide (PubChem CID 103108734) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N-ethyl-N-methylpropanamide
PubChem CID103108734
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C13H22N4O3/c1-6-15(3)12(19)9(2)14-8-10-7-11(18)17(5)13(20)16(10)4/h7,9,14H,6,8H2,1-5H3
InChIKeyOFJPNGLHQQHHSM-UHFFFAOYSA-N
XLogP-0.96
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N-ethyl-N-methylpropanamide (CID 103108734) is 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N-ethyl-N-methylpropanamide?
The InChIKey is OFJPNGLHQQHHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-6-15(3)12(19)9(2)14-8-10-7-11(18)17(5)13(20)16(10)4/h7,9,14H,6,8H2,1-5H3.
What are the key properties of 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N-ethyl-N-methylpropanamide?
2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N-ethyl-N-methylpropanamide has a molecular weight of 282.34 g/mol, XLogP of -0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103108734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).