N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide

C11H17N3O3 — CID 110700058

IUPACN-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide
SMILESCCCCN(C)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O3/c1-3-4-5-14(2)10(16)7-8-6-9(15)13-11(17)12-8/h6H,3-5,7H2,1-2H3,(H2,12,13,15,17)
InChIKeyCDXREXVUXGMJHA-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.14
Rot. Bonds5

About N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide

N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide (PubChem CID 110700058) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide
PubChem CID110700058
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide
SMILESCCCCN(C)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O3/c1-3-4-5-14(2)10(16)7-8-6-9(15)13-11(17)12-8/h6H,3-5,7H2,1-2H3,(H2,12,13,15,17)
InChIKeyCDXREXVUXGMJHA-UHFFFAOYSA-N
XLogP-0.14
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide?
The IUPAC name of N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide (CID 110700058) is N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide.
What is the SMILES notation for N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide?
The canonical SMILES for N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide is CCCCN(C)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide?
The InChIKey is CDXREXVUXGMJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-4-5-14(2)10(16)7-8-6-9(15)13-11(17)12-8/h6H,3-5,7H2,1-2H3,(H2,12,13,15,17).
What are the key properties of N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide?
N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide has a molecular weight of 239.27 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide is sourced from PubChem (CID 110700058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).