2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide

C14H21N3O3 — CID 62018236

IUPAC2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)Cn1c(C)cc(C)nc1=O)C(C)C
InChIInChI=1S/C14H21N3O3/c1-8(2)13(11(5)18)16-12(19)7-17-10(4)6-9(3)15-14(17)20/h6,8,13H,7H2,1-5H3,(H,16,19)
InChIKeyCHQCIDCUKDRDAA-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.59
Rot. Bonds5

About 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 62018236) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID62018236
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)Cn1c(C)cc(C)nc1=O)C(C)C
InChIInChI=1S/C14H21N3O3/c1-8(2)13(11(5)18)16-12(19)7-17-10(4)6-9(3)15-14(17)20/h6,8,13H,7H2,1-5H3,(H,16,19)
InChIKeyCHQCIDCUKDRDAA-UHFFFAOYSA-N
XLogP0.59
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 62018236) is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide is CC(=O)C(NC(=O)Cn1c(C)cc(C)nc1=O)C(C)C.
What is the InChIKey of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is CHQCIDCUKDRDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8(2)13(11(5)18)16-12(19)7-17-10(4)6-9(3)15-14(17)20/h6,8,13H,7H2,1-5H3,(H,16,19).
What are the key properties of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 62018236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).