2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide

C13H21N3O3 — CID 79375771

IUPAC2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
SMILESCOc1nc(C)cc(=O)n1CC(=O)NCCC(C)C
InChIInChI=1S/C13H21N3O3/c1-9(2)5-6-14-11(17)8-16-12(18)7-10(3)15-13(16)19-4/h7,9H,5-6,8H2,1-4H3,(H,14,17)
InChIKeyIYMQXWCCSIFNMY-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.72
Rot. Bonds6

About 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide

2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide (PubChem CID 79375771) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
PubChem CID79375771
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
SMILESCOc1nc(C)cc(=O)n1CC(=O)NCCC(C)C
InChIInChI=1S/C13H21N3O3/c1-9(2)5-6-14-11(17)8-16-12(18)7-10(3)15-13(16)19-4/h7,9H,5-6,8H2,1-4H3,(H,14,17)
InChIKeyIYMQXWCCSIFNMY-UHFFFAOYSA-N
XLogP0.72
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-6-methyl-3-[2-(3-methylbutylamino)ethyl]pyrimidin-4-one
CID 79374334
N-carbamoyl-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 79375686
2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide
CID 79370542
2-methoxy-6-methyl-3-phenacylpyrimidin-4-one
CID 79374029
3-[2-(4-chlorophenyl)-2-oxoethyl]-2-methoxy-6-methylpyrimidin-4-one
CID 79374810
3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid
CID 79366215
methyl 2-methyl-3-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylate
CID 65172997
ethyl 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-4-oxopentanoate
CID 103484799
3-[2-(2,5-difluorophenyl)-2-oxoethyl]-2-methoxy-6-methylpyrimidin-4-one
CID 79370478
2-[1-(4-methoxyphenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]-N-(3-methylbutyl)acetamide
CID 70717122
2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
CID 66341596
2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetonitrile
CID 79367231

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide (CID 79375771) is 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide is COc1nc(C)cc(=O)n1CC(=O)NCCC(C)C.
What is the InChIKey of 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide?
The InChIKey is IYMQXWCCSIFNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)5-6-14-11(17)8-16-12(18)7-10(3)15-13(16)19-4/h7,9H,5-6,8H2,1-4H3,(H,14,17).
What are the key properties of 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide?
2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 79375771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).