ethyl 2-(4-amino-3-methylphenoxy)-4-methylpyrimidine-5-carboxylate

C15H17N3O3 — CID 83179221

IUPACethyl 2-(4-amino-3-methylphenoxy)-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(Oc2ccc(N)c(C)c2)nc1C
InChIInChI=1S/C15H17N3O3/c1-4-20-14(19)12-8-17-15(18-10(12)3)21-11-5-6-13(16)9(2)7-11/h5-8H,4,16H2,1-3H3
InChIKeyIGLHQXJTIVBXBN-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.64
Rot. Bonds4

About ethyl 2-(4-amino-3-methylphenoxy)-4-methylpyrimidine-5-carboxylate

ethyl 2-(4-amino-3-methylphenoxy)-4-methylpyrimidine-5-carboxylate (PubChem CID 83179221) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 2-(4-amino-3-methylphenoxy)-4-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-amino-3-methylphenoxy)-4-methylpyrimidine-5-carboxylate
PubChem CID83179221
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nameethyl 2-(4-amino-3-methylphenoxy)-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(Oc2ccc(N)c(C)c2)nc1C
InChIInChI=1S/C15H17N3O3/c1-4-20-14(19)12-8-17-15(18-10(12)3)21-11-5-6-13(16)9(2)7-11/h5-8H,4,16H2,1-3H3
InChIKeyIGLHQXJTIVBXBN-UHFFFAOYSA-N
XLogP2.64
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-amino-3-chlorophenoxy)-4-methylpyrimidine-5-carboxylate
CID 83180063
ethyl 2-(4-amino-3-fluorophenoxy)-4-methylpyrimidine-5-carboxylate
CID 83180062
ethyl 2-amino-5-(4-methylphenoxy)benzoate
CID 63423730
ethyl 2-amino-5-(4-bromophenoxy)benzoate
CID 63423182
ethyl 5,6-diamino-2-methylpyridine-3-carboxylate
CID 170959467
5-ethoxycarbonyl-4-methylpyrimidin-2-olate
CID 171316032
ethyl 2-iodo-4-methylpyrimidine-5-carboxylate
CID 89308178
2-(4-chloro-3,5-dimethylphenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83181128
ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride
CID 70346506
ethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
CID 116802601
ethyl 2-[3-(aminomethyl)pentan-3-ylamino]-4-methylpyrimidine-5-carboxylate
CID 83182064
ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate
CID 102972424

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-3-methylphenoxy)-4-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(4-amino-3-methylphenoxy)-4-methylpyrimidine-5-carboxylate (CID 83179221) is ethyl 2-(4-amino-3-methylphenoxy)-4-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-amino-3-methylphenoxy)-4-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(4-amino-3-methylphenoxy)-4-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(Oc2ccc(N)c(C)c2)nc1C.
What is the InChIKey of ethyl 2-(4-amino-3-methylphenoxy)-4-methylpyrimidine-5-carboxylate?
The InChIKey is IGLHQXJTIVBXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-4-20-14(19)12-8-17-15(18-10(12)3)21-11-5-6-13(16)9(2)7-11/h5-8H,4,16H2,1-3H3.
What are the key properties of ethyl 2-(4-amino-3-methylphenoxy)-4-methylpyrimidine-5-carboxylate?
ethyl 2-(4-amino-3-methylphenoxy)-4-methylpyrimidine-5-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-3-methylphenoxy)-4-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 83179221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).