methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate

C8H12N4O3 — CID 136973957

IUPACmethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H12N4O3/c1-4(8(14)15-2)12-6-5(9)7(13)11-3-10-6/h3-4H,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyNGGGVUZTALQHSF-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.67
Rot. Bonds3

About methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate

methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate (PubChem CID 136973957) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
PubChem CID136973957
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Namemethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H12N4O3/c1-4(8(14)15-2)12-6-5(9)7(13)11-3-10-6/h3-4H,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyNGGGVUZTALQHSF-UHFFFAOYSA-N
XLogP-0.67
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate with MolForge

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Related Compounds

2-Amino-propionic acid 2-amino-4-oxo-3,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl ester
CID 136109078
ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]propanoate
CID 140333246
[C-[[4-(ethylamino)-5-(methylamino)-6-oxopyrimidin-1-yl]methyl]-N-methylcarbonimidoyl] acetate
CID 142358029
(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methyl acetate
CID 135532307
5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 135575674
5-amino-4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 135575729
5-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one
CID 136713917
5-amino-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820289
5-amino-4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870578
methyl 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956085
methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956087
methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956088

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
The IUPAC name of methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate (CID 136973957) is methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate is COC(=O)C(C)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
The InChIKey is NGGGVUZTALQHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-4(8(14)15-2)12-6-5(9)7(13)11-3-10-6/h3-4H,9H2,1-2H3,(H2,10,11,12,13).
What are the key properties of methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate has a molecular weight of 212.21 g/mol, XLogP of -0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 136973957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).