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

C13H20ClN3O3 — CID 60948566

IUPAC5-chloro-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide
SMILESCN(Cc1cn(C)c(=O)n(C)c1=O)C(=O)CCCCCl
InChIInChI=1S/C13H20ClN3O3/c1-15(11(18)6-4-5-7-14)8-10-9-16(2)13(20)17(3)12(10)19/h9H,4-8H2,1-3H3
InChIKeyWBMCYLIGTKKESO-UHFFFAOYSA-N
MW301.77 g/mol
LogP0.45
Rot. Bonds6

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

5-chloro-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide (PubChem CID 60948566) has the molecular formula C13H20ClN3O3 and a molecular weight of 301.77 g/mol. Its IUPAC name is 5-chloro-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide.

Molecular Properties

Compound Name5-chloro-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide
PubChem CID60948566
Molecular FormulaC13H20ClN3O3
Molecular Weight301.77 g/mol
Exact Mass301.12
IUPAC Name5-chloro-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide
SMILESCN(Cc1cn(C)c(=O)n(C)c1=O)C(=O)CCCCCl
InChIInChI=1S/C13H20ClN3O3/c1-15(11(18)6-4-5-7-14)8-10-9-16(2)13(20)17(3)12(10)19/h9H,4-8H2,1-3H3
InChIKeyWBMCYLIGTKKESO-UHFFFAOYSA-N
XLogP0.45
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methyl-4-(methylamino)butanamide
CID 60963240
N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpropanamide
CID 64590695
5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 43578825
N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methyl-2-(methylamino)propanamide
CID 62636981
5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
CID 43346985
5-chloro-N-(furan-3-ylmethyl)-N-methylpentanamide
CID 61422456
5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 43470726
5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide
CID 43565136
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 51158178
5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide
CID 28971589
5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpentanamide
CID 54875454
4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 63309527

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide?
The IUPAC name of 5-chloro-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide (CID 60948566) is 5-chloro-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide.
What is the SMILES notation for 5-chloro-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide?
The canonical SMILES for 5-chloro-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide is CN(Cc1cn(C)c(=O)n(C)c1=O)C(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide?
The InChIKey is WBMCYLIGTKKESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3/c1-15(11(18)6-4-5-7-14)8-10-9-16(2)13(20)17(3)12(10)19/h9H,4-8H2,1-3H3.
What are the key properties of 5-chloro-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide?
5-chloro-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide has a molecular weight of 301.77 g/mol, XLogP of 0.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide is sourced from PubChem (CID 60948566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).