methyl 3-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]propanoate

C9H13N3O4 — CID 66317620

IUPACmethyl 3-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)C(CO)Nc1cc(OC)ncn1
InChIInChI=1S/C9H13N3O4/c1-15-8-3-7(10-5-11-8)12-6(4-13)9(14)16-2/h3,5-6,13H,4H2,1-2H3,(H,10,11,12)
InChIKeySQPDLGSFZIKLKS-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.57
Rot. Bonds5

About methyl 3-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]propanoate

methyl 3-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]propanoate (PubChem CID 66317620) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]propanoate
PubChem CID66317620
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Namemethyl 3-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)C(CO)Nc1cc(OC)ncn1
InChIInChI=1S/C9H13N3O4/c1-15-8-3-7(10-5-11-8)12-6(4-13)9(14)16-2/h3,5-6,13H,4H2,1-2H3,(H,10,11,12)
InChIKeySQPDLGSFZIKLKS-UHFFFAOYSA-N
XLogP-0.57
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]propanoate (CID 66317620) is methyl 3-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]propanoate is COC(=O)C(CO)Nc1cc(OC)ncn1.
What is the InChIKey of methyl 3-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]propanoate?
The InChIKey is SQPDLGSFZIKLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-15-8-3-7(10-5-11-8)12-6(4-13)9(14)16-2/h3,5-6,13H,4H2,1-2H3,(H,10,11,12).
What are the key properties of methyl 3-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]propanoate?
methyl 3-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]propanoate has a molecular weight of 227.22 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 66317620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).