N-tert-butyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetamide

C12H18N4O3 — CID 39946215

IUPACN-tert-butyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetamide
SMILESCC(C)(C)NC(=O)CNC(=O)Cn1cccnc1=O
InChIInChI=1S/C12H18N4O3/c1-12(2,3)15-9(17)7-14-10(18)8-16-6-4-5-13-11(16)19/h4-6H,7-8H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyODSNUVVNZQEYPG-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.73
Rot. Bonds4

About N-tert-butyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetamide

N-tert-butyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetamide (PubChem CID 39946215) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetamide
PubChem CID39946215
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-tert-butyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetamide
SMILESCC(C)(C)NC(=O)CNC(=O)Cn1cccnc1=O
InChIInChI=1S/C12H18N4O3/c1-12(2,3)15-9(17)7-14-10(18)8-16-6-4-5-13-11(16)19/h4-6H,7-8H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyODSNUVVNZQEYPG-UHFFFAOYSA-N
XLogP-0.73
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]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

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)-N-propan-2-ylacetamide
CID 60758847
2-[2-[[(Z)-2-amino-1-(prop-2-enylideneamino)ethenyl]amino]ethylamino]-N-cyclopropyl-N-methylacetamide
CID 70337134
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-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 171463241
N,2-dimethyl-N-propan-2-yl-2-(2H-pyrimidin-1-yl)propanamide
CID 176011808
2-methyl-N-propan-2-yl-2-(2H-pyrimidin-1-yl)propanamide
CID 176011809
2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetamide
CID 20711612
1-(2-Oxo-2-piperazin-1-ylethyl)pyrimidin-2-one
CID 24706601
N-(3-methylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39004583

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetamide (CID 39946215) is N-tert-butyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetamide is CC(C)(C)NC(=O)CNC(=O)Cn1cccnc1=O.
What is the InChIKey of N-tert-butyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetamide?
The InChIKey is ODSNUVVNZQEYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-12(2,3)15-9(17)7-14-10(18)8-16-6-4-5-13-11(16)19/h4-6H,7-8H2,1-3H3,(H,14,18)(H,15,17).
What are the key properties of N-tert-butyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetamide?
N-tert-butyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetamide has a molecular weight of 266.30 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetamide is sourced from PubChem (CID 39946215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).