2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutyl)acetamide

C13H21N3O2 — CID 135896967

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutyl)acetamide
SMILESCc1nc(C)c(CC(=O)NCCC(C)C)c(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-8(2)5-6-14-12(17)7-11-9(3)15-10(4)16-13(11)18/h8H,5-7H2,1-4H3,(H,14,17)(H,15,16,18)
InChIKeyCQRPVGVWMCIPTK-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.09
Rot. Bonds5

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutyl)acetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutyl)acetamide (PubChem CID 135896967) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutyl)acetamide
PubChem CID135896967
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutyl)acetamide
SMILESCc1nc(C)c(CC(=O)NCCC(C)C)c(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-8(2)5-6-14-12(17)7-11-9(3)15-10(4)16-13(11)18/h8H,5-7H2,1-4H3,(H,14,17)(H,15,16,18)
InChIKeyCQRPVGVWMCIPTK-UHFFFAOYSA-N
XLogP1.09
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutyl)acetamide (CID 135896967) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutyl)acetamide is Cc1nc(C)c(CC(=O)NCCC(C)C)c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutyl)acetamide?
The InChIKey is CQRPVGVWMCIPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8(2)5-6-14-12(17)7-11-9(3)15-10(4)16-13(11)18/h8H,5-7H2,1-4H3,(H,14,17)(H,15,16,18).
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutyl)acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutyl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 135896967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).