3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid

C14H15N3O2 — CID 62960699

IUPAC3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
SMILESCc1ccnc(NCC(C(=O)O)c2ccccc2)n1
InChIInChI=1S/C14H15N3O2/c1-10-7-8-15-14(17-10)16-9-12(13(18)19)11-5-3-2-4-6-11/h2-8,12H,9H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyGLFWSFMEPUMLRO-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.07
Rot. Bonds5

About 3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid

3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid (PubChem CID 62960699) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
PubChem CID62960699
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
SMILESCc1ccnc(NCC(C(=O)O)c2ccccc2)n1
InChIInChI=1S/C14H15N3O2/c1-10-7-8-15-14(17-10)16-9-12(13(18)19)11-5-3-2-4-6-11/h2-8,12H,9H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyGLFWSFMEPUMLRO-UHFFFAOYSA-N
XLogP2.07
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
CID 62876566
1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol
CID 62958560
3-[(5,6-dimethylpyrazin-2-yl)amino]-2-phenylpropanoic acid
CID 114474409
1-[(4-methylpyrimidin-2-yl)amino]-1-phenylpropan-2-one
CID 70811148
3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62884347
1-[(4-methylpyrimidin-2-yl)amino]-3-phenoxypropan-2-one
CID 142888154
methyl 2-[(4-methylpyrimidin-2-yl)amino]-2-phenylacetate
CID 55133777
3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid
CID 83013948
N-benzhydryl-4-methylpyrimidin-2-amine
CID 62958031
3-(methylamino)-2-phenylpropanoic acid;hydrochloride
CID 134828159
2-[(4-methylpyrimidin-2-yl)amino]-1-(3-propan-2-yloxyphenyl)ethanol
CID 133304652
3-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylpropanoic acid
CID 62940771

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid (CID 62960699) is 3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid is Cc1ccnc(NCC(C(=O)O)c2ccccc2)n1.
What is the InChIKey of 3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid?
The InChIKey is GLFWSFMEPUMLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-7-8-15-14(17-10)16-9-12(13(18)19)11-5-3-2-4-6-11/h2-8,12H,9H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid?
3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 62960699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).