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

C8H11N3O3 — CID 135763980

IUPACmethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate
SMILESCOC(=O)CNc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-5-3-6(12)11-8(10-5)9-4-7(13)14-2/h3H,4H2,1-2H3,(H2,9,10,11,12)
InChIKeyVBDHVPFCDILGIX-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.34
Rot. Bonds3

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

methyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate (PubChem CID 135763980) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is methyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate
PubChem CID135763980
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Namemethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate
SMILESCOC(=O)CNc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-5-3-6(12)11-8(10-5)9-4-7(13)14-2/h3H,4H2,1-2H3,(H2,9,10,11,12)
InChIKeyVBDHVPFCDILGIX-UHFFFAOYSA-N
XLogP-0.34
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]acetic acid
CID 135449770
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135468165
methyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate
CID 136741316
ethyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate
CID 136741382
methyl 2-[(6-oxo-1H-pyrimidin-2-yl)amino]acetate
CID 54286930
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)amino]acetic acid
CID 169040483
[2-(2-methoxyethylamino)-6-oxo-1H-pyrimidin-4-yl]methylazanium chloride
CID 177055083
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate
CID 135772253
2-[(2-Methoxyethyl)amino]-6-methylpyrimidin-4-ol
CID 136697706
ethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]acetate
CID 136723287
4-ethyl-2-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 136741026
2-(2-methoxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741029

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate?
The IUPAC name of methyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate (CID 135763980) is methyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate is COC(=O)CNc1nc(C)cc(=O)[nH]1.
What is the InChIKey of methyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate?
The InChIKey is VBDHVPFCDILGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5-3-6(12)11-8(10-5)9-4-7(13)14-2/h3H,4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of methyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate?
methyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate has a molecular weight of 197.19 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 135763980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).