2-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]propanoic acid

C14H15N3O2 — CID 13054264

IUPAC2-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]propanoic acid
SMILESCc1cc(Nc2ccc(C(C)C(=O)O)cc2)ncn1
InChIInChI=1S/C14H15N3O2/c1-9-7-13(16-8-15-9)17-12-5-3-11(4-6-12)10(2)14(18)19/h3-8,10H,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyUFHKEXFIJZTSNG-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.72
Rot. Bonds4

About 2-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]propanoic acid

2-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]propanoic acid (PubChem CID 13054264) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]propanoic acid
PubChem CID13054264
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]propanoic acid
SMILESCc1cc(Nc2ccc(C(C)C(=O)O)cc2)ncn1
InChIInChI=1S/C14H15N3O2/c1-9-7-13(16-8-15-9)17-12-5-3-11(4-6-12)10(2)14(18)19/h3-8,10H,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyUFHKEXFIJZTSNG-UHFFFAOYSA-N
XLogP2.72
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-bis[4-[[6-(methylamino)pyrimidin-4-yl]amino]phenyl]pentan-3-one
CID 150888765
2-methyl-5-[(6-methylpyrimidin-4-yl)amino]benzoic acid
CID 63653356
2-chloro-4-[(6-methylpyrimidin-4-yl)amino]benzoic acid
CID 61399214
1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine
CID 108773977
3-chloro-2,2-dimethyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]propanamide
CID 108756580
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
2-(6-methylpyrimidin-4-yl)propanoic acid
CID 82597052
5-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide
CID 108733255
methyl (2R)-2-[4-[(4-methyl-2-pyridinyl)amino]phenyl]propanoate
CID 125466947
6-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 133353807
1-[4-[[6-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866665
2-cyclohexyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]acetamide
CID 108756571

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]propanoic acid?
The IUPAC name of 2-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]propanoic acid (CID 13054264) is 2-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]propanoic acid.
What is the SMILES notation for 2-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]propanoic acid?
The canonical SMILES for 2-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]propanoic acid is Cc1cc(Nc2ccc(C(C)C(=O)O)cc2)ncn1.
What is the InChIKey of 2-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]propanoic acid?
The InChIKey is UFHKEXFIJZTSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-7-13(16-8-15-9)17-12-5-3-11(4-6-12)10(2)14(18)19/h3-8,10H,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]propanoic acid?
2-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]propanoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]propanoic acid is sourced from PubChem (CID 13054264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).