N-(3-butan-2-yl-2-oxo-1,6-dihydropyrimidin-6-yl)acetamide

C10H17N3O2 — CID 123583440

IUPACN-(3-butan-2-yl-2-oxo-1,6-dihydropyrimidin-6-yl)acetamide
SMILESCCC(C)N1C=CC(NC(C)=O)NC1=O
InChIInChI=1S/C10H17N3O2/c1-4-7(2)13-6-5-9(11-8(3)14)12-10(13)15/h5-7,9H,4H2,1-3H3,(H,11,14)(H,12,15)
InChIKeyMXJLISRTKQICBS-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.79
Rot. Bonds3

About N-(3-butan-2-yl-2-oxo-1,6-dihydropyrimidin-6-yl)acetamide

N-(3-butan-2-yl-2-oxo-1,6-dihydropyrimidin-6-yl)acetamide (PubChem CID 123583440) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(3-butan-2-yl-2-oxo-1,6-dihydropyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-butan-2-yl-2-oxo-1,6-dihydropyrimidin-6-yl)acetamide
PubChem CID123583440
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(3-butan-2-yl-2-oxo-1,6-dihydropyrimidin-6-yl)acetamide
SMILESCCC(C)N1C=CC(NC(C)=O)NC1=O
InChIInChI=1S/C10H17N3O2/c1-4-7(2)13-6-5-9(11-8(3)14)12-10(13)15/h5-7,9H,4H2,1-3H3,(H,11,14)(H,12,15)
InChIKeyMXJLISRTKQICBS-UHFFFAOYSA-N
XLogP0.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-butan-2-yl-2-oxo-1,6-dihydropyrimidin-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Allyl-isopropyl-acetylharnstoff
CID 9942324
1-Butan-2-ylpyrimidine-2,4-dione
CID 53411755
N-acetyldihydropyrimidine
CID 129786190
6-(Cyclopropylamino)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione
CID 4167075
6-[3-(Dimethylamino)propylamino]-3-methyl-1-prop-2-enylpyrimidine-2,4-dione
CID 5235381
1-(3-Aminobutyl)pyrimidine-2,4-dione
CID 20146638
N-[2-(2,6-dihydro-1H-pyrimidin-3-yl)ethyl]acetamide
CID 21315965
N-[2-(2-methyl-2,6-dihydro-1H-pyrimidin-3-yl)ethyl]propanamide
CID 22749212
N-[2-(2,6-dihydro-1H-pyrimidin-3-yl)ethyl]propanamide
CID 22749213
1-Butyl-6-(ethylamino)-3-propan-2-ylpyrimidine-2,4-dione
CID 23326872
N-ethyl-3-[ethyl(prop-2-enoyl)amino]-N-[(prop-2-enoylamino)methyl]prop-2-enamide
CID 57050525
N-(1-methyl-2H-pyridin-2-yl)acetamide
CID 66654653

Frequently Asked Questions

What is the IUPAC name of N-(3-butan-2-yl-2-oxo-1,6-dihydropyrimidin-6-yl)acetamide?
The IUPAC name of N-(3-butan-2-yl-2-oxo-1,6-dihydropyrimidin-6-yl)acetamide (CID 123583440) is N-(3-butan-2-yl-2-oxo-1,6-dihydropyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(3-butan-2-yl-2-oxo-1,6-dihydropyrimidin-6-yl)acetamide?
The canonical SMILES for N-(3-butan-2-yl-2-oxo-1,6-dihydropyrimidin-6-yl)acetamide is CCC(C)N1C=CC(NC(C)=O)NC1=O.
What is the InChIKey of N-(3-butan-2-yl-2-oxo-1,6-dihydropyrimidin-6-yl)acetamide?
The InChIKey is MXJLISRTKQICBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-7(2)13-6-5-9(11-8(3)14)12-10(13)15/h5-7,9H,4H2,1-3H3,(H,11,14)(H,12,15).
What are the key properties of N-(3-butan-2-yl-2-oxo-1,6-dihydropyrimidin-6-yl)acetamide?
N-(3-butan-2-yl-2-oxo-1,6-dihydropyrimidin-6-yl)acetamide has a molecular weight of 211.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butan-2-yl-2-oxo-1,6-dihydropyrimidin-6-yl)acetamide is sourced from PubChem (CID 123583440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).