N-butyl-2-(2-oxopyrimidin-1-yl)acetamide

C10H15N3O2 — CID 39889719

IUPACN-butyl-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCCCCNC(=O)Cn1cccnc1=O
InChIInChI=1S/C10H15N3O2/c1-2-3-5-11-9(14)8-13-7-4-6-12-10(13)15/h4,6-7H,2-3,5,8H2,1H3,(H,11,14)
InChIKeyTUMMNOYTHJCDQL-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.16
Rot. Bonds5

About N-butyl-2-(2-oxopyrimidin-1-yl)acetamide

N-butyl-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 39889719) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-butyl-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID39889719
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-butyl-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCCCCNC(=O)Cn1cccnc1=O
InChIInChI=1S/C10H15N3O2/c1-2-3-5-11-9(14)8-13-7-4-6-12-10(13)15/h4,6-7H,2-3,5,8H2,1H3,(H,11,14)
InChIKeyTUMMNOYTHJCDQL-UHFFFAOYSA-N
XLogP0.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 122132565
2,2-dimethyl-N-[2-(2-oxo-1,2-dihydropyrimidin-1-yl)ethyl]propanamide
CID 131703148
2-(2-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 40205261
2-(2-Oxopyrimidin-1-yl)acetamide
CID 43350582
2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
CID 60758847
2-[2-[[(Z)-2-amino-1-(prop-2-enylideneamino)ethenyl]amino]ethylamino]-N-cyclopropyl-N-methylacetamide
CID 70337134
2H-pyrimidine-1,2-dicarboxamide
CID 141442073
N-methyl-2-(methylamino)-N-[1-[(Z)-prop-2-enylideneamino]ethenyl]acetamide
CID 143325146
N-methyl-1,2-dihydropyrimidine-2-carboxamide
CID 150983515
N-ethyl-1,2-dihydropyrimidine-2-carboxamide
CID 151565733
N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 167286972
2-methyl-N-propan-2-yl-2-(2H-pyrimidin-1-yl)propanamide
CID 176011809

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-butyl-2-(2-oxopyrimidin-1-yl)acetamide (CID 39889719) is N-butyl-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-butyl-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-butyl-2-(2-oxopyrimidin-1-yl)acetamide is CCCCNC(=O)Cn1cccnc1=O.
What is the InChIKey of N-butyl-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is TUMMNOYTHJCDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-3-5-11-9(14)8-13-7-4-6-12-10(13)15/h4,6-7H,2-3,5,8H2,1H3,(H,11,14).
What are the key properties of N-butyl-2-(2-oxopyrimidin-1-yl)acetamide?
N-butyl-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 209.25 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 39889719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).