3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide

C12H20N4O2 — CID 103823316

IUPAC3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nc(C)cc(OC)n1
InChIInChI=1S/C12H20N4O2/c1-8-6-9(18-5)16-11(15-8)14-7-12(2,3)10(17)13-4/h6H,7H2,1-5H3,(H,13,17)(H,14,15,16)
InChIKeyOJVWCJRHKOXBSG-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.98
Rot. Bonds5

About 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide

3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 103823316) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID103823316
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nc(C)cc(OC)n1
InChIInChI=1S/C12H20N4O2/c1-8-6-9(18-5)16-11(15-8)14-7-12(2,3)10(17)13-4/h6H,7H2,1-5H3,(H,13,17)(H,14,15,16)
InChIKeyOJVWCJRHKOXBSG-UHFFFAOYSA-N
XLogP0.98
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide 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

2,4-Dimethoxy-6-methylpyrimidine
CID 269820
4-(2,2-Dimethylpropoxy)-6-methylpyrimidin-2-amine
CID 57063267
4-Methoxy-6-methylpyrimidin-2-amine
CID 587236
1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 3228706
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylacetamide
CID 911086
1-(4-Methoxy-6-methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid amide
CID 649678
6-((4-methoxy-6-methylpyrimidin-2-yl)oxy)-2-methylpyridazin-3(2H)-one
CID 659885
1-(4-Methoxy-6-methyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid sec-butylamide
CID 3228704
2-Pyrimidinamine, 4-methyl-N-(1-methylethyl)-6-(2-methylpropoxy)-
CID 56843735
2-(Dimethylamino)-6-methylpyrimidin-4-yl dimethylcarbamate
CID 14054371
N,N-diethyl-4-methoxy-6-methylpyrimidin-2-amine
CID 13789821
1-(4-Methoxy-6-methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclohexylamide
CID 645094

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide (CID 103823316) is 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1nc(C)cc(OC)n1.
What is the InChIKey of 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is OJVWCJRHKOXBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-6-9(18-5)16-11(15-8)14-7-12(2,3)10(17)13-4/h6H,7H2,1-5H3,(H,13,17)(H,14,15,16).
What are the key properties of 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide?
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 252.32 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103823316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).