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

C12H19N3O2 — CID 60675898

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NCC(C)C
InChIInChI=1S/C12H19N3O2/c1-7(2)6-13-11(16)5-10-8(3)14-12(17)15-9(10)4/h7H,5-6H2,1-4H3,(H,13,16)(H,14,15,17)
InChIKeyOWYATRUBMHQPHJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.70
Rot. Bonds4

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

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)acetamide (PubChem CID 60675898) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)acetamide
PubChem CID60675898
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NCC(C)C
InChIInChI=1S/C12H19N3O2/c1-7(2)6-13-11(16)5-10-8(3)14-12(17)15-9(10)4/h7H,5-6H2,1-4H3,(H,13,16)(H,14,15,17)
InChIKeyOWYATRUBMHQPHJ-UHFFFAOYSA-N
XLogP0.70
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)acetamide (CID 60675898) is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)acetamide is Cc1nc(=O)[nH]c(C)c1CC(=O)NCC(C)C.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is OWYATRUBMHQPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-7(2)6-13-11(16)5-10-8(3)14-12(17)15-9(10)4/h7H,5-6H2,1-4H3,(H,13,16)(H,14,15,17).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)acetamide?
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 237.30 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 60675898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).