2,2-dimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide

C12H20N4O2 — CID 136843226

IUPAC2,2-dimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
SMILESCC(C)c1nc(NCC(C)(C)C(N)=O)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O2/c1-7(2)10-15-8(5-9(17)16-10)14-6-12(3,4)11(13)18/h5,7H,6H2,1-4H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyXXZVZRAGUNKOSY-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.82
Rot. Bonds5

About 2,2-dimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide

2,2-dimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide (PubChem CID 136843226) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
PubChem CID136843226
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2,2-dimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
SMILESCC(C)c1nc(NCC(C)(C)C(N)=O)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O2/c1-7(2)10-15-8(5-9(17)16-10)14-6-12(3,4)11(13)18/h5,7H,6H2,1-4H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyXXZVZRAGUNKOSY-UHFFFAOYSA-N
XLogP0.82
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide 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-propan-2-yl-1H-pyrimidin-6-one
CID 136979152
4-(2-fluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137273012
2-ethyl-4-(methylamino)-6-oxo-1H-pyrimidine-5-carboxamide
CID 142673329
2-(2-Aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one
CID 84667045
2-(Azetidin-3-yl)-6-(dimethylamino)-3-methylpyrimidin-4-one
CID 84676226
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
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-isopropyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 118775654
2-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-1-(2-methylprop-2-enyl)guanidine
CID 121829081
2-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-1-(2-methylpropyl)guanidine
CID 121829108
2-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-1-propylguanidine
CID 121829110

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide (CID 136843226) is 2,2-dimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide is CC(C)c1nc(NCC(C)(C)C(N)=O)cc(=O)[nH]1.
What is the InChIKey of 2,2-dimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide?
The InChIKey is XXZVZRAGUNKOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-7(2)10-15-8(5-9(17)16-10)14-6-12(3,4)11(13)18/h5,7H,6H2,1-4H3,(H2,13,18)(H2,14,15,16,17).
What are the key properties of 2,2-dimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide?
2,2-dimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide has a molecular weight of 252.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 136843226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).