methyl 4-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]oxybenzoate

C17H20N4O3 — CID 22544845

IUPACmethyl 4-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]oxybenzoate
SMILESCOC(=O)c1ccc(Oc2ncnc(NC3CCCC3)c2N)cc1
InChIInChI=1S/C17H20N4O3/c1-23-17(22)11-6-8-13(9-7-11)24-16-14(18)15(19-10-20-16)21-12-4-2-3-5-12/h6-10,12H,2-5,18H2,1H3,(H,19,20,21)
InChIKeySJSLWQIFOUKTEN-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.99
Rot. Bonds5

About methyl 4-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]oxybenzoate

methyl 4-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]oxybenzoate (PubChem CID 22544845) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 4-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 4-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]oxybenzoate
PubChem CID22544845
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Namemethyl 4-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]oxybenzoate
SMILESCOC(=O)c1ccc(Oc2ncnc(NC3CCCC3)c2N)cc1
InChIInChI=1S/C17H20N4O3/c1-23-17(22)11-6-8-13(9-7-11)24-16-14(18)15(19-10-20-16)21-12-4-2-3-5-12/h6-10,12H,2-5,18H2,1H3,(H,19,20,21)
InChIKeySJSLWQIFOUKTEN-UHFFFAOYSA-N
XLogP2.99
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]oxybenzoate 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

methyl 4-[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]oxybenzoate
CID 22544745
methyl 4-[[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]amino]benzoate
CID 19149466
4-N-cyclopentyl-6-phenoxypyrimidine-4,5-diamine
CID 19152582
methyl 4-(5,6-diaminopyrimidin-4-yl)oxybenzoate
CID 22544690
methyl 4-[5-amino-6-(3,4-dimethylphenoxy)pyrimidin-4-yl]oxybenzoate
CID 22544861
methyl 4-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]oxybenzoate
CID 22544764
dimethyl 5-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547756
methyl 4-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]oxybenzoate
CID 22544856
methyl 4-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]oxybenzoate
CID 22542700
N'-[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151807
dimethyl 5-[(5-amino-6-cyclohexyloxypyrimidin-4-yl)amino]benzene-1,3-dicarboxylate
CID 22547754
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]oxybenzoate?
The IUPAC name of methyl 4-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]oxybenzoate (CID 22544845) is methyl 4-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]oxybenzoate.
What is the SMILES notation for methyl 4-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]oxybenzoate?
The canonical SMILES for methyl 4-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]oxybenzoate is COC(=O)c1ccc(Oc2ncnc(NC3CCCC3)c2N)cc1.
What is the InChIKey of methyl 4-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]oxybenzoate?
The InChIKey is SJSLWQIFOUKTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-17(22)11-6-8-13(9-7-11)24-16-14(18)15(19-10-20-16)21-12-4-2-3-5-12/h6-10,12H,2-5,18H2,1H3,(H,19,20,21).
What are the key properties of methyl 4-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]oxybenzoate?
methyl 4-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]oxybenzoate has a molecular weight of 328.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]oxybenzoate is sourced from PubChem (CID 22544845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).