methyl 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]butanoate

C10H15N3O3 — CID 137007610

IUPACmethyl 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]butanoate
SMILESCOC(=O)CCCN(C)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O3/c1-13(5-3-4-10(15)16-2)8-6-9(14)12-7-11-8/h6-7H,3-5H2,1-2H3,(H,11,12,14)
InChIKeySBHWPSCDDUGZEA-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.16
Rot. Bonds5

About methyl 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]butanoate

methyl 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]butanoate (PubChem CID 137007610) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]butanoate
PubChem CID137007610
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Namemethyl 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]butanoate
SMILESCOC(=O)CCCN(C)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O3/c1-13(5-3-4-10(15)16-2)8-6-9(14)12-7-11-8/h6-7H,3-5H2,1-2H3,(H,11,12,14)
InChIKeySBHWPSCDDUGZEA-UHFFFAOYSA-N
XLogP0.16
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]butanoate?
The IUPAC name of methyl 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]butanoate (CID 137007610) is methyl 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]butanoate is COC(=O)CCCN(C)c1cc(=O)[nH]cn1.
What is the InChIKey of methyl 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]butanoate?
The InChIKey is SBHWPSCDDUGZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-13(5-3-4-10(15)16-2)8-6-9(14)12-7-11-8/h6-7H,3-5H2,1-2H3,(H,11,12,14).
What are the key properties of methyl 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]butanoate?
methyl 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]butanoate has a molecular weight of 225.25 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]butanoate is sourced from PubChem (CID 137007610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).