2-[6-bromo-2-(dimethylamino)pyrimidin-4-yl]acetic acid

C8H10BrN3O2 — CID 83852877

IUPAC2-[6-bromo-2-(dimethylamino)pyrimidin-4-yl]acetic acid
SMILESCN(C)c1nc(Br)cc(CC(=O)O)n1
InChIInChI=1S/C8H10BrN3O2/c1-12(2)8-10-5(4-7(13)14)3-6(9)11-8/h3H,4H2,1-2H3,(H,13,14)
InChIKeyBGQWYXVHQKNFIT-UHFFFAOYSA-N
MW260.09 g/mol
LogP0.93
Rot. Bonds3

About 2-[6-bromo-2-(dimethylamino)pyrimidin-4-yl]acetic acid

2-[6-bromo-2-(dimethylamino)pyrimidin-4-yl]acetic acid (PubChem CID 83852877) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is 2-[6-bromo-2-(dimethylamino)pyrimidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[6-bromo-2-(dimethylamino)pyrimidin-4-yl]acetic acid
PubChem CID83852877
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Name2-[6-bromo-2-(dimethylamino)pyrimidin-4-yl]acetic acid
SMILESCN(C)c1nc(Br)cc(CC(=O)O)n1
InChIInChI=1S/C8H10BrN3O2/c1-12(2)8-10-5(4-7(13)14)3-6(9)11-8/h3H,4H2,1-2H3,(H,13,14)
InChIKeyBGQWYXVHQKNFIT-UHFFFAOYSA-N
XLogP0.93
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 116796338
2-(2-bromo-6-tert-butylpyrimidin-4-yl)acetic acid
CID 83852916
2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)acetic acid
CID 83852863
2-(6-amino-2-bromopyrimidin-4-yl)acetic acid
CID 83852589
2-(4,6-dimethyl-2-pyridinyl)acetic acid
CID 23339817
2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]acetic acid
CID 116799732
2-[4-amino-6-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]acetic acid
CID 84699425
2-(2-bromo-6-cyclobutylpyrimidin-4-yl)acetic acid
CID 83852901
2-(6-amino-2-propan-2-ylpyrimidin-4-yl)acetic acid
CID 83864259
2-(4-bromo-5-methyl-2-pyridinyl)acetic acid
CID 118799239
2-(6-bromo-5-ethyl-2-pyridinyl)acetic acid
CID 174767599
2-[2-(dimethylamino)pyrimidin-4-yl]sulfanylacetic acid
CID 64831236

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-2-(dimethylamino)pyrimidin-4-yl]acetic acid?
The IUPAC name of 2-[6-bromo-2-(dimethylamino)pyrimidin-4-yl]acetic acid (CID 83852877) is 2-[6-bromo-2-(dimethylamino)pyrimidin-4-yl]acetic acid.
What is the SMILES notation for 2-[6-bromo-2-(dimethylamino)pyrimidin-4-yl]acetic acid?
The canonical SMILES for 2-[6-bromo-2-(dimethylamino)pyrimidin-4-yl]acetic acid is CN(C)c1nc(Br)cc(CC(=O)O)n1.
What is the InChIKey of 2-[6-bromo-2-(dimethylamino)pyrimidin-4-yl]acetic acid?
The InChIKey is BGQWYXVHQKNFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c1-12(2)8-10-5(4-7(13)14)3-6(9)11-8/h3H,4H2,1-2H3,(H,13,14).
What are the key properties of 2-[6-bromo-2-(dimethylamino)pyrimidin-4-yl]acetic acid?
2-[6-bromo-2-(dimethylamino)pyrimidin-4-yl]acetic acid has a molecular weight of 260.09 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-2-(dimethylamino)pyrimidin-4-yl]acetic acid is sourced from PubChem (CID 83852877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).