methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate

C10H15N3O2 — CID 62006126

IUPACmethyl 4-[methyl(pyrimidin-2-yl)amino]butanoate
SMILESCOC(=O)CCCN(C)c1ncccn1
InChIInChI=1S/C10H15N3O2/c1-13(8-3-5-9(14)15-2)10-11-6-4-7-12-10/h4,6-7H,3,5,8H2,1-2H3
InChIKeyAZIUSXIXMFADBL-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.87
Rot. Bonds5

About methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate

methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate (PubChem CID 62006126) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(pyrimidin-2-yl)amino]butanoate
PubChem CID62006126
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 4-[methyl(pyrimidin-2-yl)amino]butanoate
SMILESCOC(=O)CCCN(C)c1ncccn1
InChIInChI=1S/C10H15N3O2/c1-13(8-3-5-9(14)15-2)10-11-6-4-7-12-10/h4,6-7H,3,5,8H2,1-2H3
InChIKeyAZIUSXIXMFADBL-UHFFFAOYSA-N
XLogP0.87
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 60660073
methyl 4-[methyl(quinazolin-2-yl)amino]butanoate
CID 114789702
methyl 4-[methyl-(4-propoxypyrimidin-2-yl)amino]butanoate
CID 112638953
methyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate
CID 55005922
methyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate
CID 112635237
methyl 4-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]butanoate
CID 113446558
methyl 4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoate
CID 61047612
methyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate
CID 62005376
methyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate
CID 115973708
methyl 4-[(5-tert-butyl-2-pyridinyl)-methylamino]butanoate
CID 107875425
methyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate
CID 112638969
methyl 4-[(2-chloro-4-pyridinyl)methyl-methylamino]butanoate
CID 62472398

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate?
The IUPAC name of methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate (CID 62006126) is methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate is COC(=O)CCCN(C)c1ncccn1.
What is the InChIKey of methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate?
The InChIKey is AZIUSXIXMFADBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13(8-3-5-9(14)15-2)10-11-6-4-7-12-10/h4,6-7H,3,5,8H2,1-2H3.
What are the key properties of methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate?
methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate has a molecular weight of 209.25 g/mol, XLogP of 0.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate is sourced from PubChem (CID 62006126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).