N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpropanamide

C11H17N3O3 — CID 64590695

IUPACN-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpropanamide
SMILESCCC(=O)N(C)Cc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H17N3O3/c1-5-9(15)12(2)6-8-7-13(3)11(17)14(4)10(8)16/h7H,5-6H2,1-4H3
InChIKeyOEAAYLFCGQZADO-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.55
Rot. Bonds3

About N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpropanamide

N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpropanamide (PubChem CID 64590695) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpropanamide
PubChem CID64590695
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpropanamide
SMILESCCC(=O)N(C)Cc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H17N3O3/c1-5-9(15)12(2)6-8-7-13(3)11(17)14(4)10(8)16/h7H,5-6H2,1-4H3
InChIKeyOEAAYLFCGQZADO-UHFFFAOYSA-N
XLogP-0.55
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 95961
N,N-Dimethylthymine
CID 78112
1,1'-Trimethylenebis(thymine)
CID 89902
N(1),N(3)-Diallylthymine
CID 748590
5-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione
CID 408478
1,3-Dimethyl-5-ethyluracil
CID 141656
1-Ethylthymine
CID 5246756
1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 581039
Uracil, 3-cyclohexyl-5-((dimethylamino)methyl)-1-methyl-, monohydrochloride
CID 3041133
1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 12458448
CID 421650
CID 421650
5-fluoro-1,3-diisobutyl-2,4(1H,3H)-pyrimidinedione
CID 748595

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpropanamide?
The IUPAC name of N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpropanamide (CID 64590695) is N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpropanamide?
The canonical SMILES for N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpropanamide is CCC(=O)N(C)Cc1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpropanamide?
The InChIKey is OEAAYLFCGQZADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-5-9(15)12(2)6-8-7-13(3)11(17)14(4)10(8)16/h7H,5-6H2,1-4H3.
What are the key properties of N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpropanamide?
N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpropanamide has a molecular weight of 239.27 g/mol, XLogP of -0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 64590695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).