methyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate

C9H13N3O3 — CID 136956203

IUPACmethyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)CCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C9H13N3O3/c1-6-11-7(5-8(13)12-6)10-4-3-9(14)15-2/h5H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyAYEIRRNSCBHSAT-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.05
Rot. Bonds4

About methyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate

methyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate (PubChem CID 136956203) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
PubChem CID136956203
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Namemethyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)CCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C9H13N3O3/c1-6-11-7(5-8(13)12-6)10-4-3-9(14)15-2/h5H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyAYEIRRNSCBHSAT-UHFFFAOYSA-N
XLogP0.05
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate with MolForge

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Related Compounds

Ethyl 2-(4-amino-6-hydroxypyrimidin-2-yl)acetate
CID 135667643
Ethyl 2-(4-hydroxypyrimidin-2-yl)acetate
CID 133059206
ethyl 2-[4-(diethylamino)-6-oxo-1H-pyrimidin-2-yl]acetate
CID 137045061
Methyl 3-[(1-ethyl-2-oxopyrimidin-4-yl)amino]propanoate
CID 172259479
Methyl 2-(4-hydroxypyrimidin-2-yl)acetate
CID 12420731
2-methyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136290652
2-[4-(dimethylamino)-6-oxo-1H-pyrimidin-2-yl]acetic acid
CID 136316817
2-methyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764964
4-[3-(2-methoxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one
CID 136764973
methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136955986
4-(3-ethoxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956014
4-(3-methoxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956033

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
The IUPAC name of methyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate (CID 136956203) is methyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate is COC(=O)CCNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of methyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
The InChIKey is AYEIRRNSCBHSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6-11-7(5-8(13)12-6)10-4-3-9(14)15-2/h5H,3-4H2,1-2H3,(H2,10,11,12,13).
What are the key properties of methyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
methyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate has a molecular weight of 211.22 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 136956203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).