2-(6-amino-5-bromo-2-methylpyrimidin-4-yl)acetic acid

C7H8BrN3O2 — CID 83867143

IUPAC2-(6-amino-5-bromo-2-methylpyrimidin-4-yl)acetic acid
SMILESCc1nc(N)c(Br)c(CC(=O)O)n1
InChIInChI=1S/C7H8BrN3O2/c1-3-10-4(2-5(12)13)6(8)7(9)11-3/h2H2,1H3,(H,12,13)(H2,9,10,11)
InChIKeyXWOSIRRGBKRNIO-UHFFFAOYSA-N
MW246.06 g/mol
LogP0.76
Rot. Bonds2

About 2-(6-amino-5-bromo-2-methylpyrimidin-4-yl)acetic acid

2-(6-amino-5-bromo-2-methylpyrimidin-4-yl)acetic acid (PubChem CID 83867143) has the molecular formula C7H8BrN3O2 and a molecular weight of 246.06 g/mol. Its IUPAC name is 2-(6-amino-5-bromo-2-methylpyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-amino-5-bromo-2-methylpyrimidin-4-yl)acetic acid
PubChem CID83867143
Molecular FormulaC7H8BrN3O2
Molecular Weight246.06 g/mol
Exact Mass244.98
IUPAC Name2-(6-amino-5-bromo-2-methylpyrimidin-4-yl)acetic acid
SMILESCc1nc(N)c(Br)c(CC(=O)O)n1
InChIInChI=1S/C7H8BrN3O2/c1-3-10-4(2-5(12)13)6(8)7(9)11-3/h2H2,1H3,(H,12,13)(H2,9,10,11)
InChIKeyXWOSIRRGBKRNIO-UHFFFAOYSA-N
XLogP0.76
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid
CID 130679243
5-bromo-2-methyl-6-propylpyrimidin-4-amine
CID 66307126
2-(5-amino-2H-triazol-4-yl)acetic acid
CID 154204437
2-(5-amino-2-methyl-1,3-thiazol-4-yl)acetic acid
CID 83777548
2-(3-bromo-4,6-dichloro-2-pyridinyl)acetic acid
CID 174457480
2-(2,4-diamino-6-methylpyrimidin-5-yl)acetic acid
CID 45071760
2-(2,8-dimethylquinazolin-4-yl)acetic acid
CID 105469517
2-(2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)acetic acid
CID 83862859
2-(2,6-diamino-5-chloropyrimidin-4-yl)acetic acid
CID 83869056
2-(2-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)acetic acid
CID 83862857
2-(3-amino-4-bromo-2-pyridinyl)acetic acid
CID 131117087
2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102225

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-bromo-2-methylpyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(6-amino-5-bromo-2-methylpyrimidin-4-yl)acetic acid (CID 83867143) is 2-(6-amino-5-bromo-2-methylpyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(6-amino-5-bromo-2-methylpyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(6-amino-5-bromo-2-methylpyrimidin-4-yl)acetic acid is Cc1nc(N)c(Br)c(CC(=O)O)n1.
What is the InChIKey of 2-(6-amino-5-bromo-2-methylpyrimidin-4-yl)acetic acid?
The InChIKey is XWOSIRRGBKRNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O2/c1-3-10-4(2-5(12)13)6(8)7(9)11-3/h2H2,1H3,(H,12,13)(H2,9,10,11).
What are the key properties of 2-(6-amino-5-bromo-2-methylpyrimidin-4-yl)acetic acid?
2-(6-amino-5-bromo-2-methylpyrimidin-4-yl)acetic acid has a molecular weight of 246.06 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-bromo-2-methylpyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83867143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).