N-(2-methoxyethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide

C11H18N4O3 — CID 136957130

IUPACN-(2-methoxyethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCOCCNC(=O)CCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H18N4O3/c1-8-14-9(7-11(17)15-8)12-4-3-10(16)13-5-6-18-2/h7H,3-6H2,1-2H3,(H,13,16)(H2,12,14,15,17)
InChIKeyXIPPDGLICBZVBI-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.36
Rot. Bonds7

About N-(2-methoxyethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide

N-(2-methoxyethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (PubChem CID 136957130) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
PubChem CID136957130
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC NameN-(2-methoxyethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCOCCNC(=O)CCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H18N4O3/c1-8-14-9(7-11(17)15-8)12-4-3-10(16)13-5-6-18-2/h7H,3-6H2,1-2H3,(H,13,16)(H2,12,14,15,17)
InChIKeyXIPPDGLICBZVBI-UHFFFAOYSA-N
XLogP-0.36
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (CID 136957130) is N-(2-methoxyethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is COCCNC(=O)CCNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of N-(2-methoxyethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The InChIKey is XIPPDGLICBZVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8-14-9(7-11(17)15-8)12-4-3-10(16)13-5-6-18-2/h7H,3-6H2,1-2H3,(H,13,16)(H2,12,14,15,17).
What are the key properties of N-(2-methoxyethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
N-(2-methoxyethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide has a molecular weight of 254.29 g/mol, XLogP of -0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 136957130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).