3-[(2-methylpyrimidin-4-yl)methylamino]butanoic acid

C10H15N3O2 — CID 61015669

IUPAC3-[(2-methylpyrimidin-4-yl)methylamino]butanoic acid
SMILESCc1nccc(CNC(C)CC(=O)O)n1
InChIInChI=1S/C10H15N3O2/c1-7(5-10(14)15)12-6-9-3-4-11-8(2)13-9/h3-4,7,12H,5-6H2,1-2H3,(H,14,15)
InChIKeyYOKMLFSCSBGTJO-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.74
Rot. Bonds5

About 3-[(2-methylpyrimidin-4-yl)methylamino]butanoic acid

3-[(2-methylpyrimidin-4-yl)methylamino]butanoic acid (PubChem CID 61015669) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[(2-methylpyrimidin-4-yl)methylamino]butanoic acid.

Molecular Properties

Compound Name3-[(2-methylpyrimidin-4-yl)methylamino]butanoic acid
PubChem CID61015669
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-[(2-methylpyrimidin-4-yl)methylamino]butanoic acid
SMILESCc1nccc(CNC(C)CC(=O)O)n1
InChIInChI=1S/C10H15N3O2/c1-7(5-10(14)15)12-6-9-3-4-11-8(2)13-9/h3-4,7,12H,5-6H2,1-2H3,(H,14,15)
InChIKeyYOKMLFSCSBGTJO-UHFFFAOYSA-N
XLogP0.74
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide
CID 54901886
N-[(2-methylpyrimidin-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 61016997
2-[(2-methylpyrimidin-4-yl)methylamino]-N-prop-2-ynylpropanamide
CID 54901602
2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid
CID 114897739
2,3-dimethyl-4-[(2-methylpyrimidin-4-yl)methylamino]-4-oxobutanoic acid
CID 103497934
1-(3-methylbutan-2-yl)-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 47328249
N-cyclopropyl-2-[(2-methylpyrimidin-4-yl)methylamino]propanamide
CID 54902257
2-[(2-methylpyrimidin-4-yl)methylamino]hexanoic acid
CID 103241040
2-[(2-methylpyrimidin-4-yl)methylsulfamoyl]propanoic acid
CID 54947709
2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide
CID 79202738
tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate
CID 107247937
1-(3-methylpyrazin-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 102612485

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpyrimidin-4-yl)methylamino]butanoic acid?
The IUPAC name of 3-[(2-methylpyrimidin-4-yl)methylamino]butanoic acid (CID 61015669) is 3-[(2-methylpyrimidin-4-yl)methylamino]butanoic acid.
What is the SMILES notation for 3-[(2-methylpyrimidin-4-yl)methylamino]butanoic acid?
The canonical SMILES for 3-[(2-methylpyrimidin-4-yl)methylamino]butanoic acid is Cc1nccc(CNC(C)CC(=O)O)n1.
What is the InChIKey of 3-[(2-methylpyrimidin-4-yl)methylamino]butanoic acid?
The InChIKey is YOKMLFSCSBGTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(5-10(14)15)12-6-9-3-4-11-8(2)13-9/h3-4,7,12H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 3-[(2-methylpyrimidin-4-yl)methylamino]butanoic acid?
3-[(2-methylpyrimidin-4-yl)methylamino]butanoic acid has a molecular weight of 209.25 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpyrimidin-4-yl)methylamino]butanoic acid is sourced from PubChem (CID 61015669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).