2-[(5-bromopyrimidin-4-yl)amino]propanoic acid

C7H8BrN3O2 — CID 83843664

IUPAC2-[(5-bromopyrimidin-4-yl)amino]propanoic acid
SMILESCC(Nc1ncncc1Br)C(=O)O
InChIInChI=1S/C7H8BrN3O2/c1-4(7(12)13)11-6-5(8)2-9-3-10-6/h2-4H,1H3,(H,12,13)(H,9,10,11)
InChIKeyCMECUYPYCKAWGP-UHFFFAOYSA-N
MW246.06 g/mol
LogP1.12
Rot. Bonds3

About 2-[(5-bromopyrimidin-4-yl)amino]propanoic acid

2-[(5-bromopyrimidin-4-yl)amino]propanoic acid (PubChem CID 83843664) has the molecular formula C7H8BrN3O2 and a molecular weight of 246.06 g/mol. Its IUPAC name is 2-[(5-bromopyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(5-bromopyrimidin-4-yl)amino]propanoic acid
PubChem CID83843664
Molecular FormulaC7H8BrN3O2
Molecular Weight246.06 g/mol
Exact Mass244.98
IUPAC Name2-[(5-bromopyrimidin-4-yl)amino]propanoic acid
SMILESCC(Nc1ncncc1Br)C(=O)O
InChIInChI=1S/C7H8BrN3O2/c1-4(7(12)13)11-6-5(8)2-9-3-10-6/h2-4H,1H3,(H,12,13)(H,9,10,11)
InChIKeyCMECUYPYCKAWGP-UHFFFAOYSA-N
XLogP1.12
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(5-bromopyrimidin-4-yl)amino]propanoate
CID 66342541
2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide
CID 66340999
3-[(5-bromopyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 115715016
2-[(5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 79248958
3-[(5-bromopyrimidin-4-yl)amino]butan-1-ol
CID 80712175
2-[(5-bromopyrimidin-4-yl)amino]butan-1-ol
CID 22024679
2-[(5,6-dimethylpyrimidin-4-yl)amino]propanoic acid
CID 83619941
3-N-(5-bromopyrimidin-4-yl)butane-1,3-diamine
CID 83180764
5-bromo-N-(1-phenylpropan-2-yl)pyrimidin-4-amine
CID 66340366
5-bromo-N-pent-1-yn-3-ylpyrimidin-4-amine
CID 103578161
5-bromo-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
CID 66342606
2-[(5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 115714881

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromopyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-[(5-bromopyrimidin-4-yl)amino]propanoic acid (CID 83843664) is 2-[(5-bromopyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(5-bromopyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-[(5-bromopyrimidin-4-yl)amino]propanoic acid is CC(Nc1ncncc1Br)C(=O)O.
What is the InChIKey of 2-[(5-bromopyrimidin-4-yl)amino]propanoic acid?
The InChIKey is CMECUYPYCKAWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O2/c1-4(7(12)13)11-6-5(8)2-9-3-10-6/h2-4H,1H3,(H,12,13)(H,9,10,11).
What are the key properties of 2-[(5-bromopyrimidin-4-yl)amino]propanoic acid?
2-[(5-bromopyrimidin-4-yl)amino]propanoic acid has a molecular weight of 246.06 g/mol, XLogP of 1.12, 3 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]propanoic acid is sourced from PubChem (CID 83843664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).