methyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate

C20H17N3O4 — CID 121167799

IUPACmethyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ncn2)cc1
InChIInChI=1S/C20H17N3O4/c1-26-20(25)15-7-9-16(10-8-15)23-19(24)17-11-18(22-13-21-17)27-12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H,23,24)
InChIKeyJEMKVHSCOGLNJO-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.09
Rot. Bonds6

About methyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate

methyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate (PubChem CID 121167799) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is methyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate
PubChem CID121167799
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Namemethyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ncn2)cc1
InChIInChI=1S/C20H17N3O4/c1-26-20(25)15-7-9-16(10-8-15)23-19(24)17-11-18(22-13-21-17)27-12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H,23,24)
InChIKeyJEMKVHSCOGLNJO-UHFFFAOYSA-N
XLogP3.09
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide
CID 121167975
N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-phenylmethoxypyrimidine-4-carboxamide
CID 91816344
N-(4-chloro-3-nitrophenyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167939
ethyl 2-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167835
N-(6-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167810
N-(3-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167809
methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate
CID 4946351
N-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167837
6-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 91816331
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167926
N-(2-bromo-4-methylphenyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167981
methyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109191932

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate (CID 121167799) is methyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ncn2)cc1.
What is the InChIKey of methyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate?
The InChIKey is JEMKVHSCOGLNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-26-20(25)15-7-9-16(10-8-15)23-19(24)17-11-18(22-13-21-17)27-12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H,23,24).
What are the key properties of methyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate?
methyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate has a molecular weight of 363.37 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate is sourced from PubChem (CID 121167799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).