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

C10H15BrN4O2 — CID 103745842

IUPAC3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-2,2-dimethylpropanamide
SMILESCOc1nc(NCC(C)(C)C(N)=O)ncc1Br
InChIInChI=1S/C10H15BrN4O2/c1-10(2,8(12)16)5-14-9-13-4-6(11)7(15-9)17-3/h4H,5H2,1-3H3,(H2,12,16)(H,13,14,15)
InChIKeyUCRCPBFGEMMQKA-UHFFFAOYSA-N
MW303.16 g/mol
LogP1.17
Rot. Bonds5

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

3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-2,2-dimethylpropanamide (PubChem CID 103745842) has the molecular formula C10H15BrN4O2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-2,2-dimethylpropanamide
PubChem CID103745842
Molecular FormulaC10H15BrN4O2
Molecular Weight303.16 g/mol
Exact Mass302.04
IUPAC Name3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-2,2-dimethylpropanamide
SMILESCOc1nc(NCC(C)(C)C(N)=O)ncc1Br
InChIInChI=1S/C10H15BrN4O2/c1-10(2,8(12)16)5-14-9-13-4-6(11)7(15-9)17-3/h4H,5H2,1-3H3,(H2,12,16)(H,13,14,15)
InChIKeyUCRCPBFGEMMQKA-UHFFFAOYSA-N
XLogP1.17
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 103823309
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280543
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
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
3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]propane-1-sulfonamide
CID 106997682
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
5-bromo-N-iodo-4-methoxypyrimidin-2-amine
CID 147407713
(2R)-2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]propanoic acid
CID 122049940

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-2,2-dimethylpropanamide (CID 103745842) is 3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-2,2-dimethylpropanamide is COc1nc(NCC(C)(C)C(N)=O)ncc1Br.
What is the InChIKey of 3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is UCRCPBFGEMMQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O2/c1-10(2,8(12)16)5-14-9-13-4-6(11)7(15-9)17-3/h4H,5H2,1-3H3,(H2,12,16)(H,13,14,15).
What are the key properties of 3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-2,2-dimethylpropanamide?
3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 303.16 g/mol, XLogP of 1.17, 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 103745842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).