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

C12H19N3O3 — CID 110700060

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H19N3O3/c1-3-5-15(6-4-2)11(17)8-9-7-10(16)14-12(18)13-9/h7H,3-6,8H2,1-2H3,(H2,13,14,16,18)
InChIKeyLPCGPDFKCPRMPW-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.25
Rot. Bonds6

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

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dipropylacetamide (PubChem CID 110700060) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dipropylacetamide
PubChem CID110700060
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H19N3O3/c1-3-5-15(6-4-2)11(17)8-9-7-10(16)14-12(18)13-9/h7H,3-6,8H2,1-2H3,(H2,13,14,16,18)
InChIKeyLPCGPDFKCPRMPW-UHFFFAOYSA-N
XLogP0.25
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dipropylacetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dipropylacetamide (CID 110700060) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dipropylacetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dipropylacetamide?
The InChIKey is LPCGPDFKCPRMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-5-15(6-4-2)11(17)8-9-7-10(16)14-12(18)13-9/h7H,3-6,8H2,1-2H3,(H2,13,14,16,18).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dipropylacetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dipropylacetamide has a molecular weight of 253.30 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dipropylacetamide is sourced from PubChem (CID 110700060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).