2-[(4-methoxy-6-methylpyrimidin-2-yl)-prop-2-enylamino]acetic acid

C11H15N3O3 — CID 112634556

IUPAC2-[(4-methoxy-6-methylpyrimidin-2-yl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)c1nc(C)cc(OC)n1
InChIInChI=1S/C11H15N3O3/c1-4-5-14(7-10(15)16)11-12-8(2)6-9(13-11)17-3/h4,6H,1,5,7H2,2-3H3,(H,15,16)
InChIKeyGMKJSRIUQPKDCJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.87
Rot. Bonds6

About 2-[(4-methoxy-6-methylpyrimidin-2-yl)-prop-2-enylamino]acetic acid

2-[(4-methoxy-6-methylpyrimidin-2-yl)-prop-2-enylamino]acetic acid (PubChem CID 112634556) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[(4-methoxy-6-methylpyrimidin-2-yl)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-methoxy-6-methylpyrimidin-2-yl)-prop-2-enylamino]acetic acid
PubChem CID112634556
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[(4-methoxy-6-methylpyrimidin-2-yl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)c1nc(C)cc(OC)n1
InChIInChI=1S/C11H15N3O3/c1-4-5-14(7-10(15)16)11-12-8(2)6-9(13-11)17-3/h4,6H,1,5,7H2,2-3H3,(H,15,16)
InChIKeyGMKJSRIUQPKDCJ-UHFFFAOYSA-N
XLogP0.87
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(4-methoxy-6-methylpyrimidin-2-yl)-prop-2-enylamino]acetic acid 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-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid
CID 115354708
2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid
CID 61012125
ethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-propylamino]acetate
CID 112706252
2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetic acid
CID 115354683
2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetic acid
CID 4713847
2-[(3-cyano-2,6-dimethyl-4-pyridinyl)-prop-2-enylamino]acetic acid
CID 81060333
2-[(6-propan-2-yloxypyrimidin-4-yl)-prop-2-enylamino]acetic acid
CID 79263368
2-chloro-6-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 84580756
2-[tert-butyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetic acid
CID 115973161
2-[butan-2-yl-(4-ethoxy-6-methylpyrimidin-2-yl)amino]acetic acid
CID 112634398
2-[carboxymethyl-(4-cyano-6-methyl-2-pyridinyl)amino]acetic acid
CID 114765403
2-[(6-methoxy-2-methylpyrimidin-4-yl)-methylamino]acetic acid
CID 66332249

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)-prop-2-enylamino]acetic acid (CID 112634556) is 2-[(4-methoxy-6-methylpyrimidin-2-yl)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(4-methoxy-6-methylpyrimidin-2-yl)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(4-methoxy-6-methylpyrimidin-2-yl)-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)c1nc(C)cc(OC)n1.
What is the InChIKey of 2-[(4-methoxy-6-methylpyrimidin-2-yl)-prop-2-enylamino]acetic acid?
The InChIKey is GMKJSRIUQPKDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-4-5-14(7-10(15)16)11-12-8(2)6-9(13-11)17-3/h4,6H,1,5,7H2,2-3H3,(H,15,16).
What are the key properties of 2-[(4-methoxy-6-methylpyrimidin-2-yl)-prop-2-enylamino]acetic acid?
2-[(4-methoxy-6-methylpyrimidin-2-yl)-prop-2-enylamino]acetic acid has a molecular weight of 237.26 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-methylpyrimidin-2-yl)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 112634556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).