2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-methyl-N-(oxan-4-yl)acetamide

C17H27N3O3 — CID 170353610

IUPAC2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-methyl-N-(oxan-4-yl)acetamide
SMILESCCCCc1nc(C)c(CC(=O)N(C)C2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C17H27N3O3/c1-4-5-6-15-18-12(2)14(17(22)19-15)11-16(21)20(3)13-7-9-23-10-8-13/h13H,4-11H2,1-3H3,(H,18,19,22)
InChIKeyIDIDRINZIGZDHU-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.60
Rot. Bonds6

About 2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-methyl-N-(oxan-4-yl)acetamide

2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-methyl-N-(oxan-4-yl)acetamide (PubChem CID 170353610) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-methyl-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-methyl-N-(oxan-4-yl)acetamide
PubChem CID170353610
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-methyl-N-(oxan-4-yl)acetamide
SMILESCCCCc1nc(C)c(CC(=O)N(C)C2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C17H27N3O3/c1-4-5-6-15-18-12(2)14(17(22)19-15)11-16(21)20(3)13-7-9-23-10-8-13/h13H,4-11H2,1-3H3,(H,18,19,22)
InChIKeyIDIDRINZIGZDHU-UHFFFAOYSA-N
XLogP1.60
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-methyl-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-methyl-N-(oxan-4-yl)acetamide (CID 170353610) is 2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-methyl-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-methyl-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-methyl-N-(oxan-4-yl)acetamide is CCCCc1nc(C)c(CC(=O)N(C)C2CCOCC2)c(=O)[nH]1.
What is the InChIKey of 2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-methyl-N-(oxan-4-yl)acetamide?
The InChIKey is IDIDRINZIGZDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-4-5-6-15-18-12(2)14(17(22)19-15)11-16(21)20(3)13-7-9-23-10-8-13/h13H,4-11H2,1-3H3,(H,18,19,22).
What are the key properties of 2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-methyl-N-(oxan-4-yl)acetamide?
2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-methyl-N-(oxan-4-yl)acetamide has a molecular weight of 321.42 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-methyl-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 170353610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).