2-[(5-bromopyrimidin-2-yl)amino]-N-propylacetamide

C9H13BrN4O — CID 63872824

IUPAC2-[(5-bromopyrimidin-2-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1ncc(Br)cn1
InChIInChI=1S/C9H13BrN4O/c1-2-3-11-8(15)6-14-9-12-4-7(10)5-13-9/h4-5H,2-3,6H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyREQNZXOAAAFKSS-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.18
Rot. Bonds5

About 2-[(5-bromopyrimidin-2-yl)amino]-N-propylacetamide

2-[(5-bromopyrimidin-2-yl)amino]-N-propylacetamide (PubChem CID 63872824) has the molecular formula C9H13BrN4O and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-[(5-bromopyrimidin-2-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-bromopyrimidin-2-yl)amino]-N-propylacetamide
PubChem CID63872824
Molecular FormulaC9H13BrN4O
Molecular Weight273.13 g/mol
Exact Mass272.03
IUPAC Name2-[(5-bromopyrimidin-2-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1ncc(Br)cn1
InChIInChI=1S/C9H13BrN4O/c1-2-3-11-8(15)6-14-9-12-4-7(10)5-13-9/h4-5H,2-3,6H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyREQNZXOAAAFKSS-UHFFFAOYSA-N
XLogP1.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-N-propylacetamide
CID 80787327
N-ethyl-2-[(5-iodopyrimidin-2-yl)amino]acetamide
CID 104839942
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-propylacetamide
CID 113420397
2-(2,6-dibromoanilino)-N-propylacetamide
CID 107598911
2-(2,6-dibromo-4-methylanilino)-N-propylacetamide
CID 28991483
2-[(5-methoxy-2-pyridinyl)amino]-N-propylacetamide
CID 106503985
2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 80788310
2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide
CID 80787440
2-[[6-(ethylamino)pyrazin-2-yl]amino]-N-propylacetamide
CID 78990280
2-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)amino]-N-propylacetamide
CID 104507787
2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 103745777
2-(3-bromo-5-methoxyanilino)-N-propylacetamide
CID 82868368

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromopyrimidin-2-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[(5-bromopyrimidin-2-yl)amino]-N-propylacetamide (CID 63872824) is 2-[(5-bromopyrimidin-2-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(5-bromopyrimidin-2-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(5-bromopyrimidin-2-yl)amino]-N-propylacetamide is CCCNC(=O)CNc1ncc(Br)cn1.
What is the InChIKey of 2-[(5-bromopyrimidin-2-yl)amino]-N-propylacetamide?
The InChIKey is REQNZXOAAAFKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O/c1-2-3-11-8(15)6-14-9-12-4-7(10)5-13-9/h4-5H,2-3,6H2,1H3,(H,11,15)(H,12,13,14).
What are the key properties of 2-[(5-bromopyrimidin-2-yl)amino]-N-propylacetamide?
2-[(5-bromopyrimidin-2-yl)amino]-N-propylacetamide has a molecular weight of 273.13 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromopyrimidin-2-yl)amino]-N-propylacetamide is sourced from PubChem (CID 63872824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).