4-[methyl(pyrimidin-2-ylmethyl)amino]butanoic acid

C10H15N3O2 — CID 62698830

IUPAC4-[methyl(pyrimidin-2-ylmethyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)Cc1ncccn1
InChIInChI=1S/C10H15N3O2/c1-13(7-2-4-10(14)15)8-9-11-5-3-6-12-9/h3,5-6H,2,4,7-8H2,1H3,(H,14,15)
InChIKeyCSTSFVIZBRTATL-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.77
Rot. Bonds6

About 4-[methyl(pyrimidin-2-ylmethyl)amino]butanoic acid

4-[methyl(pyrimidin-2-ylmethyl)amino]butanoic acid (PubChem CID 62698830) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[methyl(pyrimidin-2-ylmethyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(pyrimidin-2-ylmethyl)amino]butanoic acid
PubChem CID62698830
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-[methyl(pyrimidin-2-ylmethyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)Cc1ncccn1
InChIInChI=1S/C10H15N3O2/c1-13(7-2-4-10(14)15)8-9-11-5-3-6-12-9/h3,5-6H,2,4,7-8H2,1H3,(H,14,15)
InChIKeyCSTSFVIZBRTATL-UHFFFAOYSA-N
XLogP0.77
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 62700832
3-[ethyl(pyrimidin-2-ylmethyl)amino]propanoic acid
CID 55209592
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
4-[(4-hydroxyphenyl)methyl-methylamino]butanoic acid
CID 65068076
4-[2,2-dimethylpropyl(methyl)amino]butanoic acid
CID 58066360
sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 173402275
4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one
CID 62050830
4-[methyl-[(2,4,5-trimethylphenyl)methyl]amino]butanoic acid
CID 114078387
4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 61442435
4-[methyl-[(3-methylimidazol-4-yl)methyl]amino]butanoic acid
CID 66117382
4-[methyl-[phenyl(pyridin-2-yl)methyl]amino]butanoic acid
CID 65067919
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butanoic acid
CID 55006231

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pyrimidin-2-ylmethyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(pyrimidin-2-ylmethyl)amino]butanoic acid (CID 62698830) is 4-[methyl(pyrimidin-2-ylmethyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(pyrimidin-2-ylmethyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(pyrimidin-2-ylmethyl)amino]butanoic acid is CN(CCCC(=O)O)Cc1ncccn1.
What is the InChIKey of 4-[methyl(pyrimidin-2-ylmethyl)amino]butanoic acid?
The InChIKey is CSTSFVIZBRTATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13(7-2-4-10(14)15)8-9-11-5-3-6-12-9/h3,5-6H,2,4,7-8H2,1H3,(H,14,15).
What are the key properties of 4-[methyl(pyrimidin-2-ylmethyl)amino]butanoic acid?
4-[methyl(pyrimidin-2-ylmethyl)amino]butanoic acid has a molecular weight of 209.25 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pyrimidin-2-ylmethyl)amino]butanoic acid is sourced from PubChem (CID 62698830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).