BENZOIC ACID, 4-(2,4-DIAMINO-5-PYRIMIDINYLMETHYL)-2,6-DIMETHOXY-, ETHYL ESTER

ethyl 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxybenzoate

CAS: 55687-48-4

Molecular Formula	`C16H20N4O4`
Molecular Weight	332.35 g/mol
LogP	1.2
Topological Polar Surface Area	123.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	332.14847
Heavy Atoms	24
Complexity	398.0

Chemical Identifiers

CAS Number	55687-48-4
SMILES	`CCOC(=O)C1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC`
InChIKey	`VTYSSUAOJXDZSK-UHFFFAOYSA-N`

📖 Product Overview

BENZOIC ACID, 4-(2,4-DIAMINO-5-PYRIMIDINYLMETHYL)-2,6-DIMETHOXY-, ETHYL ESTER (CAS: 55687-48-4) is a chemical compound with molecular formula C16H20N4O4 and molecular weight 332.35 g/mol. Its IUPAC systematic name is ethyl 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxybenzoate. LogP 1.2 Topological Polar Surface Area 123.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 7 Exact Mass 332.14847 Heavy Atoms 24 Complexity 398.0 InChI Key: VTYSSUAOJXDZSK-UHFFFAOYSA-N. SMILES: CCOC(=O)C1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC.

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