2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-ethoxypropyl)acetamide

C13H21N3O3 — CID 135896963

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)Cc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C13H21N3O3/c1-4-19-7-5-6-14-12(17)8-11-9(2)15-10(3)16-13(11)18/h4-8H2,1-3H3,(H,14,17)(H,15,16,18)
InChIKeyFPKIXMIAENMFLS-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.47
Rot. Bonds7

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-ethoxypropyl)acetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-ethoxypropyl)acetamide (PubChem CID 135896963) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-ethoxypropyl)acetamide
PubChem CID135896963
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)Cc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C13H21N3O3/c1-4-19-7-5-6-14-12(17)8-11-9(2)15-10(3)16-13(11)18/h4-8H2,1-3H3,(H,14,17)(H,15,16,18)
InChIKeyFPKIXMIAENMFLS-UHFFFAOYSA-N
XLogP0.47
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)acetamide
CID 135896886
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 135931992
2-ethyl-5-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one
CID 136849634
2-methyl-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
CID 135671154
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutyl)acetamide
CID 135896967
7-cyclobutyl-2-(2-methoxyethyl)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 137167033
2-(2-butyl-4-hydroxy-6-methylpyrimidin-5-yl)-N,N-dimethylacetamide
CID 135741921
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 135896979
5-(2-aminoethyl)-4-ethyl-2-methyl-1H-pyrimidin-6-one
CID 136326131
5-(2-aminoethyl)-2,4-diethyl-1H-pyrimidin-6-one
CID 136328315
5-Ethyl-3,6-dimethyl-2-[2-(methylamino)ethyl]pyrimidin-4-one
CID 141022529
2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one
CID 170353550

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-ethoxypropyl)acetamide (CID 135896963) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)Cc1c(C)nc(C)[nH]c1=O.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-ethoxypropyl)acetamide?
The InChIKey is FPKIXMIAENMFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-19-7-5-6-14-12(17)8-11-9(2)15-10(3)16-13(11)18/h4-8H2,1-3H3,(H,14,17)(H,15,16,18).
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-ethoxypropyl)acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-ethoxypropyl)acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 135896963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).