methyl 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate

C21H21N3O4 — CID 144580770

IUPACmethyl 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate
SMILESCCOc1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1C(=O)OC
InChIInChI=1S/C21H21N3O4/c1-4-28-19-10-9-14(11-16(19)21(25)27-3)24-20-12-17(22-13-23-20)15-7-5-6-8-18(15)26-2/h5-13H,4H2,1-3H3,(H,22,23,24)
InChIKeyBAJCWSXKBLKGSM-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.08
Rot. Bonds7

About methyl 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate

methyl 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate (PubChem CID 144580770) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is methyl 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate
PubChem CID144580770
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Namemethyl 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate
SMILESCCOc1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1C(=O)OC
InChIInChI=1S/C21H21N3O4/c1-4-28-19-10-9-14(11-16(19)21(25)27-3)24-20-12-17(22-13-23-20)15-7-5-6-8-18(15)26-2/h5-13H,4H2,1-3H3,(H,22,23,24)
InChIKeyBAJCWSXKBLKGSM-UHFFFAOYSA-N
XLogP4.08
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate 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-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl] N,N-dimethylcarbamate
CID 73335147
3-amino-3-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]propanamide
CID 68911475
[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl] 2,2-dimethylpropanoate
CID 174930706
3-N-[ethoxy(ethyl)phosphoryl]-1-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-4-methylbenzene-1,3-diamine
CID 90656365
methyl 2-[[6-(2-ethoxyanilino)pyrimidin-4-yl]amino]benzoate
CID 112866294
1-[4-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfinamide
CID 145497672
benzyl-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]azanium
CID 144580791
4-chloro-1-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]benzene-1,3-diamine
CID 68910908
methyl 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-3-methylbenzoate
CID 68915808
1-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-propylmethanesulfonamide
CID 58550533
4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-pyrrolidin-3-ylbenzamide
CID 68915590
N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 68913809

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate?
The IUPAC name of methyl 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate (CID 144580770) is methyl 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate.
What is the SMILES notation for methyl 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate?
The canonical SMILES for methyl 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate is CCOc1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1C(=O)OC.
What is the InChIKey of methyl 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate?
The InChIKey is BAJCWSXKBLKGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-4-28-19-10-9-14(11-16(19)21(25)27-3)24-20-12-17(22-13-23-20)15-7-5-6-8-18(15)26-2/h5-13H,4H2,1-3H3,(H,22,23,24).
What are the key properties of methyl 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate?
methyl 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate has a molecular weight of 379.42 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate is sourced from PubChem (CID 144580770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).