3-[[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]amino]propanoic acid

C14H14ClN3O2 — CID 82192909

IUPAC3-[[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]amino]propanoic acid
SMILESCc1cc(-c2ccc(Cl)cc2)nc(NCCC(=O)O)n1
InChIInChI=1S/C14H14ClN3O2/c1-9-8-12(10-2-4-11(15)5-3-10)18-14(17-9)16-7-6-13(19)20/h2-5,8H,6-7H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyCNZLRLHNDMBYJF-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.99
Rot. Bonds5

About 3-[[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]amino]propanoic acid

3-[[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]amino]propanoic acid (PubChem CID 82192909) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 3-[[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]amino]propanoic acid
PubChem CID82192909
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name3-[[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]amino]propanoic acid
SMILESCc1cc(-c2ccc(Cl)cc2)nc(NCCC(=O)O)n1
InChIInChI=1S/C14H14ClN3O2/c1-9-8-12(10-2-4-11(15)5-3-10)18-14(17-9)16-7-6-13(19)20/h2-5,8H,6-7H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyCNZLRLHNDMBYJF-UHFFFAOYSA-N
XLogP2.99
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]amino]propanoic acid
CID 82192903
3-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]propanoic acid
CID 98020477
4,6-bis(4-chlorophenyl)-N-propylpyrimidin-2-amine
CID 70871060
4-[[4-(2,5-dimethylphenyl)-6-methylpyrimidin-2-yl]amino]butanoic acid
CID 82192981
N-benzyl-4-methyl-6-phenylpyrimidin-2-amine
CID 13126867
N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine
CID 82191492
N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine chloride
CID 53351957
N-[(4-chlorophenyl)methyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327781
N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine
CID 82191629
N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327800
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propanoic acid
CID 81352269
N-(4-chlorophenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327842

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]amino]propanoic acid?
The IUPAC name of 3-[[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]amino]propanoic acid (CID 82192909) is 3-[[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]amino]propanoic acid?
The canonical SMILES for 3-[[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]amino]propanoic acid is Cc1cc(-c2ccc(Cl)cc2)nc(NCCC(=O)O)n1.
What is the InChIKey of 3-[[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]amino]propanoic acid?
The InChIKey is CNZLRLHNDMBYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-9-8-12(10-2-4-11(15)5-3-10)18-14(17-9)16-7-6-13(19)20/h2-5,8H,6-7H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 3-[[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]amino]propanoic acid?
3-[[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]amino]propanoic acid has a molecular weight of 291.74 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]amino]propanoic acid is sourced from PubChem (CID 82192909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).