2-[(6-amino-5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide

C11H18BrN5O — CID 114072700

IUPAC2-[(6-amino-5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Nc1ncnc(N)c1Br
InChIInChI=1S/C11H18BrN5O/c1-6(2)4-14-11(18)7(3)17-10-8(12)9(13)15-5-16-10/h5-7H,4H2,1-3H3,(H,14,18)(H3,13,15,16,17)
InChIKeyHZZFRVRTIVGLCZ-UHFFFAOYSA-N
MW316.20 g/mol
LogP1.39
Rot. Bonds5

About 2-[(6-amino-5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide

2-[(6-amino-5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 114072700) has the molecular formula C11H18BrN5O and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-[(6-amino-5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(6-amino-5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
PubChem CID114072700
Molecular FormulaC11H18BrN5O
Molecular Weight316.20 g/mol
Exact Mass315.07
IUPAC Name2-[(6-amino-5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Nc1ncnc(N)c1Br
InChIInChI=1S/C11H18BrN5O/c1-6(2)4-14-11(18)7(3)17-10-8(12)9(13)15-5-16-10/h5-7H,4H2,1-3H3,(H,14,18)(H3,13,15,16,17)
InChIKeyHZZFRVRTIVGLCZ-UHFFFAOYSA-N
XLogP1.39
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80800536
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide
CID 114049769
2-[(5-bromo-3-chloro-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide
CID 103582611
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 115571995
N-(2-methylpropyl)-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
CID 114569242
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
CID 114049887
2-(3-amino-4-bromopyrazol-1-yl)-N-(2-methylpropyl)propanamide
CID 61174849
N-(2-methylpropyl)-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 106972989
2-amino-4-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]benzoic acid
CID 104500881
2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 113405779
2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide
CID 66340999
2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80896950

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(6-amino-5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide (CID 114072700) is 2-[(6-amino-5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(6-amino-5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(6-amino-5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)Nc1ncnc(N)c1Br.
What is the InChIKey of 2-[(6-amino-5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is HZZFRVRTIVGLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN5O/c1-6(2)4-14-11(18)7(3)17-10-8(12)9(13)15-5-16-10/h5-7H,4H2,1-3H3,(H,14,18)(H3,13,15,16,17).
What are the key properties of 2-[(6-amino-5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide?
2-[(6-amino-5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 316.20 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 114072700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).