4-[methyl-(2-methylpyrimidin-4-yl)amino]butanoic acid

C10H15N3O2 — CID 55211095

IUPAC4-[methyl-(2-methylpyrimidin-4-yl)amino]butanoic acid
SMILESCc1nccc(N(C)CCCC(=O)O)n1
InChIInChI=1S/C10H15N3O2/c1-8-11-6-5-9(12-8)13(2)7-3-4-10(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyQZMPHPUANFNKMN-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.09
Rot. Bonds5

About 4-[methyl-(2-methylpyrimidin-4-yl)amino]butanoic acid

4-[methyl-(2-methylpyrimidin-4-yl)amino]butanoic acid (PubChem CID 55211095) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[methyl-(2-methylpyrimidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(2-methylpyrimidin-4-yl)amino]butanoic acid
PubChem CID55211095
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-[methyl-(2-methylpyrimidin-4-yl)amino]butanoic acid
SMILESCc1nccc(N(C)CCCC(=O)O)n1
InChIInChI=1S/C10H15N3O2/c1-8-11-6-5-9(12-8)13(2)7-3-4-10(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyQZMPHPUANFNKMN-UHFFFAOYSA-N
XLogP1.09
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-methylpyrimidin-4-yl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(2-methylpyrimidin-4-yl)amino]butanoic acid (CID 55211095) is 4-[methyl-(2-methylpyrimidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(2-methylpyrimidin-4-yl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(2-methylpyrimidin-4-yl)amino]butanoic acid is Cc1nccc(N(C)CCCC(=O)O)n1.
What is the InChIKey of 4-[methyl-(2-methylpyrimidin-4-yl)amino]butanoic acid?
The InChIKey is QZMPHPUANFNKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-8-11-6-5-9(12-8)13(2)7-3-4-10(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 4-[methyl-(2-methylpyrimidin-4-yl)amino]butanoic acid?
4-[methyl-(2-methylpyrimidin-4-yl)amino]butanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-methylpyrimidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 55211095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).