N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-propylpentanamide

C12H19N3O3 — CID 977883

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-3-5-8(6-4-2)10(16)14-9-7-13-12(18)15-11(9)17/h7-8H,3-6H2,1-2H3,(H,14,16)(H2,13,15,17,18)
InChIKeyYOAFNHKPLVJVIC-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.22
Rot. Bonds6

About N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-propylpentanamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-propylpentanamide (PubChem CID 977883) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-propylpentanamide
PubChem CID977883
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-3-5-8(6-4-2)10(16)14-9-7-13-12(18)15-11(9)17/h7-8H,3-6H2,1-2H3,(H,14,16)(H2,13,15,17,18)
InChIKeyYOAFNHKPLVJVIC-UHFFFAOYSA-N
XLogP1.22
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-propylpentanamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-propylpentanamide (CID 977883) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-propylpentanamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-propylpentanamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-propylpentanamide is CCCC(CCC)C(=O)Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-propylpentanamide?
The InChIKey is YOAFNHKPLVJVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-5-8(6-4-2)10(16)14-9-7-13-12(18)15-11(9)17/h7-8H,3-6H2,1-2H3,(H,14,16)(H2,13,15,17,18).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-propylpentanamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-propylpentanamide has a molecular weight of 253.30 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-propylpentanamide is sourced from PubChem (CID 977883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).