2-ethoxy-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylic acid

C15H17N3O4 — CID 178100025

IUPAC2-ethoxy-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylic acid
SMILESCCOc1ncc(C(=O)O)c(NCc2ccc(OC)cc2)n1
InChIInChI=1S/C15H17N3O4/c1-3-22-15-17-9-12(14(19)20)13(18-15)16-8-10-4-6-11(21-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyZOAKNWPIZXCKGE-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.19
Rot. Bonds7

About 2-ethoxy-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylic acid

2-ethoxy-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylic acid (PubChem CID 178100025) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-ethoxy-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-ethoxy-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylic acid
PubChem CID178100025
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-ethoxy-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylic acid
SMILESCCOc1ncc(C(=O)O)c(NCc2ccc(OC)cc2)n1
InChIInChI=1S/C15H17N3O4/c1-3-22-15-17-9-12(14(19)20)13(18-15)16-8-10-4-6-11(21-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyZOAKNWPIZXCKGE-UHFFFAOYSA-N
XLogP2.19
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-butoxy-4-[[4-(dimethylamino)phenyl]methylamino]pyrimidine-5-carboxylic acid
CID 178100026
ethyl 2-[(4-fluorophenyl)methylamino]-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylate
CID 178100051
3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62710099
4-amino-6-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylic acid
CID 118002770
ethane;ethyl 5-fluoro-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
CID 143010924
4-tert-butyl-2-ethoxypyrimidine-5-carboxylic acid
CID 83891615
6-ethoxy-2-N-[(4-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80771579
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658
4-(benzylamino)-2-phenylpyrimidine-5-carboxylic acid
CID 20562052
2-(2,4-dimethoxyphenyl)-4-(ethylamino)pyrimidine-5-carboxylic acid
CID 82169115
4-(benzylamino)-2-[(2-methylphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 53215102
2-(4-ethoxyphenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
CID 82169174

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-ethoxy-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylic acid (CID 178100025) is 2-ethoxy-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-ethoxy-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-ethoxy-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylic acid is CCOc1ncc(C(=O)O)c(NCc2ccc(OC)cc2)n1.
What is the InChIKey of 2-ethoxy-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylic acid?
The InChIKey is ZOAKNWPIZXCKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-3-22-15-17-9-12(14(19)20)13(18-15)16-8-10-4-6-11(21-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-ethoxy-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylic acid?
2-ethoxy-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 178100025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).