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

C12H20N4O3 — CID 61464351

IUPAC2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylpropanamide
SMILESCC(NCc1cc(=O)n(C)c(=O)n1C)C(=O)N(C)C
InChIInChI=1S/C12H20N4O3/c1-8(11(18)14(2)3)13-7-9-6-10(17)16(5)12(19)15(9)4/h6,8,13H,7H2,1-5H3
InChIKeyBVOUJBOJYDBUOD-UHFFFAOYSA-N
MW268.32 g/mol
LogP-1.35
Rot. Bonds4

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

2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylpropanamide (PubChem CID 61464351) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylpropanamide
PubChem CID61464351
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylpropanamide
SMILESCC(NCc1cc(=O)n(C)c(=O)n1C)C(=O)N(C)C
InChIInChI=1S/C12H20N4O3/c1-8(11(18)14(2)3)13-7-9-6-10(17)16(5)12(19)15(9)4/h6,8,13H,7H2,1-5H3
InChIKeyBVOUJBOJYDBUOD-UHFFFAOYSA-N
XLogP-1.35
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-1.35
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,N-dimethylpropanamide?
The IUPAC name of 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylpropanamide (CID 61464351) is 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylpropanamide is CC(NCc1cc(=O)n(C)c(=O)n1C)C(=O)N(C)C.
What is the InChIKey of 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylpropanamide?
The InChIKey is BVOUJBOJYDBUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8(11(18)14(2)3)13-7-9-6-10(17)16(5)12(19)15(9)4/h6,8,13H,7H2,1-5H3.
What are the key properties of 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylpropanamide?
2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylpropanamide has a molecular weight of 268.32 g/mol, XLogP of -1.35, 4 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,N-dimethylpropanamide is sourced from PubChem (CID 61464351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).