3-[(5-bromopyrimidin-2-yl)amino]-N-butan-2-ylpropanamide

C11H17BrN4O — CID 63872452

IUPAC3-[(5-bromopyrimidin-2-yl)amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNc1ncc(Br)cn1
InChIInChI=1S/C11H17BrN4O/c1-3-8(2)16-10(17)4-5-13-11-14-6-9(12)7-15-11/h6-8H,3-5H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyHZHHBMYTDHYYDF-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.96
Rot. Bonds6

About 3-[(5-bromopyrimidin-2-yl)amino]-N-butan-2-ylpropanamide

3-[(5-bromopyrimidin-2-yl)amino]-N-butan-2-ylpropanamide (PubChem CID 63872452) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 3-[(5-bromopyrimidin-2-yl)amino]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(5-bromopyrimidin-2-yl)amino]-N-butan-2-ylpropanamide
PubChem CID63872452
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name3-[(5-bromopyrimidin-2-yl)amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNc1ncc(Br)cn1
InChIInChI=1S/C11H17BrN4O/c1-3-8(2)16-10(17)4-5-13-11-14-6-9(12)7-15-11/h6-8H,3-5H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyHZHHBMYTDHYYDF-UHFFFAOYSA-N
XLogP1.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-N-butan-2-ylpropanamide
CID 80819829
N-butan-2-yl-3-[(4-methylpyrimidin-2-yl)amino]propanamide
CID 55152673
N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide
CID 60964838
N-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80819434
N-butan-2-yl-3-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80819644
5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide
CID 62242574
5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 61150398
N-butan-2-yl-3-[[5-(methylamino)-3-pyridinyl]amino]propanamide
CID 113423927
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-butan-2-ylpropanamide
CID 80819921
(2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol
CID 131107121
6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 78956162
N-butan-2-yl-3-[(5-nitro-2-pyridinyl)amino]propanamide
CID 47282818

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromopyrimidin-2-yl)amino]-N-butan-2-ylpropanamide?
The IUPAC name of 3-[(5-bromopyrimidin-2-yl)amino]-N-butan-2-ylpropanamide (CID 63872452) is 3-[(5-bromopyrimidin-2-yl)amino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-[(5-bromopyrimidin-2-yl)amino]-N-butan-2-ylpropanamide?
The canonical SMILES for 3-[(5-bromopyrimidin-2-yl)amino]-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCNc1ncc(Br)cn1.
What is the InChIKey of 3-[(5-bromopyrimidin-2-yl)amino]-N-butan-2-ylpropanamide?
The InChIKey is HZHHBMYTDHYYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-3-8(2)16-10(17)4-5-13-11-14-6-9(12)7-15-11/h6-8H,3-5H2,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of 3-[(5-bromopyrimidin-2-yl)amino]-N-butan-2-ylpropanamide?
3-[(5-bromopyrimidin-2-yl)amino]-N-butan-2-ylpropanamide has a molecular weight of 301.19 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromopyrimidin-2-yl)amino]-N-butan-2-ylpropanamide is sourced from PubChem (CID 63872452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).