4-[(2-methylpyrimidin-4-yl)amino]-5-phenylpentanoic acid

C16H19N3O2 — CID 122064202

IUPAC4-[(2-methylpyrimidin-4-yl)amino]-5-phenylpentanoic acid
SMILESCc1nccc(NC(CCC(=O)O)Cc2ccccc2)n1
InChIInChI=1S/C16H19N3O2/c1-12-17-10-9-15(18-12)19-14(7-8-16(20)21)11-13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyINADCRWDERSISM-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.67
Rot. Bonds7

About 4-[(2-methylpyrimidin-4-yl)amino]-5-phenylpentanoic acid

4-[(2-methylpyrimidin-4-yl)amino]-5-phenylpentanoic acid (PubChem CID 122064202) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[(2-methylpyrimidin-4-yl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(2-methylpyrimidin-4-yl)amino]-5-phenylpentanoic acid
PubChem CID122064202
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-[(2-methylpyrimidin-4-yl)amino]-5-phenylpentanoic acid
SMILESCc1nccc(NC(CCC(=O)O)Cc2ccccc2)n1
InChIInChI=1S/C16H19N3O2/c1-12-17-10-9-15(18-12)19-14(7-8-16(20)21)11-13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyINADCRWDERSISM-UHFFFAOYSA-N
XLogP2.67
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-5-phenylpentanoic acid
CID 122064193
4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-5-phenylpentanoic acid
CID 122064162
4-[1-(4-methyl-2-pyridinyl)ethylamino]-5-phenylpentanoic acid
CID 122045793
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[(3-fluoro-2-pyridinyl)amino]-5-phenylpentanoic acid
CID 122064301
4-[(5-cyanopyrazin-2-yl)amino]-5-phenylpentanoic acid
CID 122064321
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122016072
4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
4-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]-5-phenylpentanoic acid
CID 122064237
2-[(2-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80830612
4-[(2-methylsulfanylacetyl)amino]-5-phenylpentanoic acid
CID 120546684

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpyrimidin-4-yl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(2-methylpyrimidin-4-yl)amino]-5-phenylpentanoic acid (CID 122064202) is 4-[(2-methylpyrimidin-4-yl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(2-methylpyrimidin-4-yl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(2-methylpyrimidin-4-yl)amino]-5-phenylpentanoic acid is Cc1nccc(NC(CCC(=O)O)Cc2ccccc2)n1.
What is the InChIKey of 4-[(2-methylpyrimidin-4-yl)amino]-5-phenylpentanoic acid?
The InChIKey is INADCRWDERSISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-17-10-9-15(18-12)19-14(7-8-16(20)21)11-13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11H2,1H3,(H,20,21)(H,17,18,19).
What are the key properties of 4-[(2-methylpyrimidin-4-yl)amino]-5-phenylpentanoic acid?
4-[(2-methylpyrimidin-4-yl)amino]-5-phenylpentanoic acid has a molecular weight of 285.35 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpyrimidin-4-yl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122064202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).