2-amino-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]acetic acid

C11H11N3O3 — CID 116902136

IUPAC2-amino-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]acetic acid
SMILESCc1ccc(-c2ccnc(C(N)C(=O)O)n2)o1
InChIInChI=1S/C11H11N3O3/c1-6-2-3-8(17-6)7-4-5-13-10(14-7)9(12)11(15)16/h2-5,9H,12H2,1H3,(H,15,16)
InChIKeyXVHRXTSKQGWXIO-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.13
Rot. Bonds3

About 2-amino-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]acetic acid

2-amino-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]acetic acid (PubChem CID 116902136) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-amino-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]acetic acid
PubChem CID116902136
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2-amino-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]acetic acid
SMILESCc1ccc(-c2ccnc(C(N)C(=O)O)n2)o1
InChIInChI=1S/C11H11N3O3/c1-6-2-3-8(17-6)7-4-5-13-10(14-7)9(12)11(15)16/h2-5,9H,12H2,1H3,(H,15,16)
InChIKeyXVHRXTSKQGWXIO-UHFFFAOYSA-N
XLogP1.13
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]butanoic acid
CID 116903041
2-amino-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]ethanol
CID 116902206
2-amino-2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetic acid
CID 116902104
[4-(5-methylfuran-2-yl)pyrimidin-2-yl]methanol
CID 116899503
2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propan-2-ol
CID 116902086
3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899196
2-methoxy-4-(5-methylfuran-2-yl)pyrimidine
CID 116903833
methyl 2-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoate
CID 116901354
2-amino-2-[4-(oxan-4-yl)pyrimidin-2-yl]acetic acid
CID 115041987
4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid
CID 116894066
2-methyl-3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propan-1-amine
CID 116898293
3-amino-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid
CID 116966881

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]acetic acid?
The IUPAC name of 2-amino-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]acetic acid (CID 116902136) is 2-amino-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]acetic acid?
The canonical SMILES for 2-amino-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]acetic acid is Cc1ccc(-c2ccnc(C(N)C(=O)O)n2)o1.
What is the InChIKey of 2-amino-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]acetic acid?
The InChIKey is XVHRXTSKQGWXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-6-2-3-8(17-6)7-4-5-13-10(14-7)9(12)11(15)16/h2-5,9H,12H2,1H3,(H,15,16).
What are the key properties of 2-amino-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]acetic acid?
2-amino-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]acetic acid has a molecular weight of 233.23 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]acetic acid is sourced from PubChem (CID 116902136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).