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

C10H15N3O3 — CID 3159468

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-3-6(4-2)8(14)12-7-5-11-10(16)13-9(7)15/h5-6H,3-4H2,1-2H3,(H,12,14)(H2,11,13,15,16)
InChIKeyHATYGQNLBCRZAD-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.44
Rot. Bonds4

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

N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethylbutanamide (PubChem CID 3159468) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethylbutanamide
PubChem CID3159468
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-3-6(4-2)8(14)12-7-5-11-10(16)13-9(7)15/h5-6H,3-4H2,1-2H3,(H,12,14)(H2,11,13,15,16)
InChIKeyHATYGQNLBCRZAD-UHFFFAOYSA-N
XLogP0.44
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.44
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-ethylbutanamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethylbutanamide (CID 3159468) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethylbutanamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethylbutanamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethylbutanamide?
The InChIKey is HATYGQNLBCRZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-6(4-2)8(14)12-7-5-11-10(16)13-9(7)15/h5-6H,3-4H2,1-2H3,(H,12,14)(H2,11,13,15,16).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethylbutanamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethylbutanamide has a molecular weight of 225.25 g/mol, XLogP of 0.44, 4 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-ethylbutanamide is sourced from PubChem (CID 3159468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).