3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide

C11H18N4O2 — CID 136843232

IUPAC3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCCc1nc(NCC(C)(C)C(N)=O)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O2/c1-4-7-14-8(5-9(16)15-7)13-6-11(2,3)10(12)17/h5H,4,6H2,1-3H3,(H2,12,17)(H2,13,14,15,16)
InChIKeyUIICFFQPVJYBBJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.26
Rot. Bonds5

About 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide

3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide (PubChem CID 136843232) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
PubChem CID136843232
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCCc1nc(NCC(C)(C)C(N)=O)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O2/c1-4-7-14-8(5-9(16)15-7)13-6-11(2,3)10(12)17/h5H,4,6H2,1-3H3,(H2,12,17)(H2,13,14,15,16)
InChIKeyUIICFFQPVJYBBJ-UHFFFAOYSA-N
XLogP0.26
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide 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

N-[2-(4-Amino-6-hydroxypyrimidin-2-YL)ethyl]-2,2-dimethylpropanamide
CID 136664803
4-[(3-amino-2,2-difluoropropyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136979146
4-[(3-amino-2,2-difluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136979152
4-(2-fluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137273012
2-[3-[(2-tert-butyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 89492717
2-ethyl-4-(methylamino)-6-oxo-1H-pyrimidine-5-carboxamide
CID 142673329
N-(2-tert-butyl-6-oxo-1H-pyrimidin-4-yl)-2,2-dimethylpropanamide
CID 153760145
2-(2-Aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one
CID 84667045
3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114584435
3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-methylpropanamide
CID 114585014
3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-ethylpropanamide
CID 114585043
2-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-1-prop-2-enylguanidine;hydroiodide
CID 120302584

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide (CID 136843232) is 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide is CCc1nc(NCC(C)(C)C(N)=O)cc(=O)[nH]1.
What is the InChIKey of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is UIICFFQPVJYBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-7-14-8(5-9(16)15-7)13-6-11(2,3)10(12)17/h5H,4,6H2,1-3H3,(H2,12,17)(H2,13,14,15,16).
What are the key properties of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 238.29 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 136843232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).