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

C14H15N3O2 — CID 116902104

IUPAC2-amino-2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetic acid
SMILESCc1ccc(C)c(-c2ccnc(C(N)C(=O)O)n2)c1
InChIInChI=1S/C14H15N3O2/c1-8-3-4-9(2)10(7-8)11-5-6-16-13(17-11)12(15)14(18)19/h3-7,12H,15H2,1-2H3,(H,18,19)
InChIKeyUJJCHVNMVCHHKO-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.84
Rot. Bonds3

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

2-amino-2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetic acid (PubChem CID 116902104) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-amino-2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetic acid
PubChem CID116902104
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-amino-2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetic acid
SMILESCc1ccc(C)c(-c2ccnc(C(N)C(=O)O)n2)c1
InChIInChI=1S/C14H15N3O2/c1-8-3-4-9(2)10(7-8)11-5-6-16-13(17-11)12(15)14(18)19/h3-7,12H,15H2,1-2H3,(H,18,19)
InChIKeyUJJCHVNMVCHHKO-UHFFFAOYSA-N
XLogP1.84
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]prop-2-enoic acid
CID 116901703
2-amino-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]acetic acid
CID 116902136
1-[4-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]ethanamine
CID 116897584
3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899155
[4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine
CID 82471015
3-amino-3-[4-(2-methylphenyl)pyrimidin-2-yl]propanoic acid
CID 116902337
methyl 2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetate
CID 116901184
2-amino-2-(4-methyl-2-pyridinyl)acetic acid
CID 55293255
2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)pyrimidine
CID 116898685
4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine
CID 116898808
4-(2-methyl-5-propan-2-ylphenyl)pyrimidine-2-carboxylic acid
CID 116899759
ethyl 6-(2,5-dimethylphenyl)-2-methylpyridine-3-carboxylate
CID 115917530

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetic acid?
The IUPAC name of 2-amino-2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetic acid (CID 116902104) is 2-amino-2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetic acid?
The canonical SMILES for 2-amino-2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetic acid is Cc1ccc(C)c(-c2ccnc(C(N)C(=O)O)n2)c1.
What is the InChIKey of 2-amino-2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetic acid?
The InChIKey is UJJCHVNMVCHHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-8-3-4-9(2)10(7-8)11-5-6-16-13(17-11)12(15)14(18)19/h3-7,12H,15H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetic acid?
2-amino-2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetic acid has a molecular weight of 257.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetic acid is sourced from PubChem (CID 116902104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).