3-cyclohexyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)propanamide

C13H19N3O3 — CID 647264

IUPAC3-cyclohexyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESO=C(CCC1CCCCC1)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H19N3O3/c17-11(7-6-9-4-2-1-3-5-9)15-10-8-14-13(19)16-12(10)18/h8-9H,1-7H2,(H,15,17)(H2,14,16,18,19)
InChIKeyLZGPPPRUCWLEJQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.36
Rot. Bonds4

About 3-cyclohexyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)propanamide

3-cyclohexyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 647264) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-cyclohexyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)propanamide
PubChem CID647264
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-cyclohexyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESO=C(CCC1CCCCC1)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H19N3O3/c17-11(7-6-9-4-2-1-3-5-9)15-10-8-14-13(19)16-12(10)18/h8-9H,1-7H2,(H,15,17)(H2,14,16,18,19)
InChIKeyLZGPPPRUCWLEJQ-UHFFFAOYSA-N
XLogP1.36
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)propanamide (CID 647264) is 3-cyclohexyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)propanamide is O=C(CCC1CCCCC1)Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 3-cyclohexyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is LZGPPPRUCWLEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-11(7-6-9-4-2-1-3-5-9)15-10-8-14-13(19)16-12(10)18/h8-9H,1-7H2,(H,15,17)(H2,14,16,18,19).
What are the key properties of 3-cyclohexyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
3-cyclohexyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 265.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 647264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).