3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide

C11H17BrN4O2 — CID 103823309

IUPAC3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ncc(Br)c(OC)n1
InChIInChI=1S/C11H17BrN4O2/c1-11(2,9(17)13-3)6-15-10-14-5-7(12)8(16-10)18-4/h5H,6H2,1-4H3,(H,13,17)(H,14,15,16)
InChIKeyPPAGMIJMHMOOBW-UHFFFAOYSA-N
MW317.19 g/mol
LogP1.43
Rot. Bonds5

About 3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide

3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 103823309) has the molecular formula C11H17BrN4O2 and a molecular weight of 317.19 g/mol. Its IUPAC name is 3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID103823309
Molecular FormulaC11H17BrN4O2
Molecular Weight317.19 g/mol
Exact Mass316.05
IUPAC Name3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ncc(Br)c(OC)n1
InChIInChI=1S/C11H17BrN4O2/c1-11(2,9(17)13-3)6-15-10-14-5-7(12)8(16-10)18-4/h5H,6H2,1-4H3,(H,13,17)(H,14,15,16)
InChIKeyPPAGMIJMHMOOBW-UHFFFAOYSA-N
XLogP1.43
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-2,2-dimethylpropanamide
CID 103745842
3-[(5-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 106278290
3-[(5-iodopyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 104844185
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 103823329
2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 103745777
5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine
CID 103745831
5-bromo-4-methoxy-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 103746080
2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide
CID 106337859
1-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-4,4-dimethylpentan-2-ol
CID 103746013
3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N,N-diethylpropanamide
CID 103745855
5-bromo-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-2-amine
CID 103768548

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide (CID 103823309) is 3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1ncc(Br)c(OC)n1.
What is the InChIKey of 3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is PPAGMIJMHMOOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O2/c1-11(2,9(17)13-3)6-15-10-14-5-7(12)8(16-10)18-4/h5H,6H2,1-4H3,(H,13,17)(H,14,15,16).
What are the key properties of 3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide?
3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 317.19 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103823309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).