2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]butanoic acid

C11H14N4O2 — CID 107542920

IUPAC2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)c1nc(C)cc(C#N)n1
InChIInChI=1S/C11H14N4O2/c1-4-9(10(16)17)15(3)11-13-7(2)5-8(6-12)14-11/h5,9H,4H2,1-3H3,(H,16,17)
InChIKeyPUOQXGVYECOGOG-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.96
Rot. Bonds4

About 2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]butanoic acid

2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]butanoic acid (PubChem CID 107542920) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]butanoic acid
PubChem CID107542920
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)c1nc(C)cc(C#N)n1
InChIInChI=1S/C11H14N4O2/c1-4-9(10(16)17)15(3)11-13-7(2)5-8(6-12)14-11/h5,9H,4H2,1-3H3,(H,16,17)
InChIKeyPUOQXGVYECOGOG-UHFFFAOYSA-N
XLogP0.96
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]propanoic acid
CID 107542940
2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]butanoic acid
CID 113491416
3-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]butanoic acid
CID 107542951
2-[tert-butyl-(4-cyano-6-methylpyrimidin-2-yl)amino]acetic acid
CID 107543072
2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543609
ethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate
CID 107544090
2-[(4-cyano-6-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetamide
CID 107544113
2-(4-cyano-N,3-dimethylanilino)butanoic acid
CID 81273602
2-(2-cyano-4-fluoro-N-methylanilino)butanoic acid
CID 63673420
4-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]oxolane-3-carboxylic acid
CID 107543056
6-methyl-2-[methyl(pentan-3-yl)amino]pyrimidine-4-carboxylic acid
CID 107553644
2-[1-(3-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107544416

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]butanoic acid?
The IUPAC name of 2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]butanoic acid (CID 107542920) is 2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]butanoic acid.
What is the SMILES notation for 2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]butanoic acid?
The canonical SMILES for 2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]butanoic acid is CCC(C(=O)O)N(C)c1nc(C)cc(C#N)n1.
What is the InChIKey of 2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]butanoic acid?
The InChIKey is PUOQXGVYECOGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-4-9(10(16)17)15(3)11-13-7(2)5-8(6-12)14-11/h5,9H,4H2,1-3H3,(H,16,17).
What are the key properties of 2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]butanoic acid?
2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]butanoic acid has a molecular weight of 234.26 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]butanoic acid is sourced from PubChem (CID 107542920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).