methyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate

C11H17N3O3 — CID 66326780

IUPACmethyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate
SMILESCCOc1ncnc(NCCC(=O)OC)c1C
InChIInChI=1S/C11H17N3O3/c1-4-17-11-8(2)10(13-7-14-11)12-6-5-9(15)16-3/h7H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyPSDOSVWJVHZUPI-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.16
Rot. Bonds6

About methyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate

methyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate (PubChem CID 66326780) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate
PubChem CID66326780
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Namemethyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate
SMILESCCOc1ncnc(NCCC(=O)OC)c1C
InChIInChI=1S/C11H17N3O3/c1-4-17-11-8(2)10(13-7-14-11)12-6-5-9(15)16-3/h7H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyPSDOSVWJVHZUPI-UHFFFAOYSA-N
XLogP1.16
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 66325613
4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide
CID 66326842
methyl 3-[(6-amino-5-methylpyrimidin-4-yl)amino]propanoate
CID 80796856
3-[2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83114298
ethyl 3-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80816605
N-cyclopropyl-4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide
CID 79400749
6-ethoxy-5-methyl-N-pent-3-ynylpyrimidin-4-amine
CID 116644552
5-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 82017186
6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine
CID 115326240
6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 66326862
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentanoate
CID 66326164

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate?
The IUPAC name of methyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate (CID 66326780) is methyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate is CCOc1ncnc(NCCC(=O)OC)c1C.
What is the InChIKey of methyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate?
The InChIKey is PSDOSVWJVHZUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-17-11-8(2)10(13-7-14-11)12-6-5-9(15)16-3/h7H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of methyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate?
methyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate has a molecular weight of 239.27 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 66326780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).