2-[(5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide

C10H15BrN4O — CID 115714881

IUPAC2-[(5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1ncncc1Br
InChIInChI=1S/C10H15BrN4O/c1-7(2)3-13-9(16)5-14-10-8(11)4-12-6-15-10/h4,6-7H,3,5H2,1-2H3,(H,13,16)(H,12,14,15)
InChIKeyABSMMKSSWWNGOL-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.42
Rot. Bonds5

About 2-[(5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide

2-[(5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 115714881) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-[(5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
PubChem CID115714881
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name2-[(5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1ncncc1Br
InChIInChI=1S/C10H15BrN4O/c1-7(2)3-13-9(16)5-14-10-8(11)4-12-6-15-10/h4,6-7H,3,5H2,1-2H3,(H,13,16)(H,12,14,15)
InChIKeyABSMMKSSWWNGOL-UHFFFAOYSA-N
XLogP1.42
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2,3-dimethylbutyl)pyrimidin-4-amine
CID 66341943
N-(2-methylpropyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 49226606
N-(2-methylpropyl)-2-(quinazolin-4-ylamino)acetamide
CID 49226597
5-bromo-N-(2-methylsulfinylpropyl)pyrimidin-4-amine
CID 115764259
2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 113405779
2-[(5-bromopyrimidin-4-yl)amino]propanoic acid
CID 83843664
tert-butyl N-[2-[(5-bromopyrimidin-4-yl)amino]ethyl]carbamate
CID 115714879
2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide
CID 66340999
2-[(5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 79248958
3-[(5-bromopyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 115715016
4-(2-methylpropylamino)pyrimidine-5-carboxylic acid
CID 28905979
methyl 2-[(5-bromopyrimidin-4-yl)amino]propanoate
CID 66342541

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide (CID 115714881) is 2-[(5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNc1ncncc1Br.
What is the InChIKey of 2-[(5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is ABSMMKSSWWNGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c1-7(2)3-13-9(16)5-14-10-8(11)4-12-6-15-10/h4,6-7H,3,5H2,1-2H3,(H,13,16)(H,12,14,15).
What are the key properties of 2-[(5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide?
2-[(5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 287.16 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 115714881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).